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2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE structure
Fine Chemical

2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE

TL;DR: 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE (CAS 1004470-80-7) is a chemical compound with molecular formula C12H18N6OS and molecular weight 294.12628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide

Also Known As: 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide

CAS Number
1004470-80-7
Molecular Formula
C12H18N6OS
Molecular Weight
294.12628 g/mol
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Technical Specifications

Molecular FormulaC12H18N6OS
Molecular Weight294.12628 g/mol
XLogP1.4
Topological Polar Surface Area (TPSA)137.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass294.12628 Da
Heavy Atoms20
Complexity402.0
SMILESCN(C(=O)CSC1=NNC(=N1)N)C2(CCCCC2)C#N
InChIKeySPJAZIGXAJBWRH-UHFFFAOYSA-N

Chemical Property Profile of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE

XLogP
1.4
TPSA (Topological Polar Surface Area)
137.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
20
Complexity
402.0
Exact Mass
294.12628
Monoisotopic Mass
294.12628
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE

The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE. Following Lipinski's Rule of Five, 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE?

The CAS number of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE is 1004470-80-7.

What is the molecular formula of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE?

The molecular formula of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE is C12H18N6OS.

What is the molecular weight of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE?

The molecular weight of 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE is 294.12628 g/mol.

Where can I buy 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE?

You can request a quote for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE?

Yes, CoreyChem provides custom synthesis services for 2-[(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(1-CYANOCYCLOHEXYL)-N-METHYLACETAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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