N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide
TL;DR: N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide (CAS 127843-33-8) is a chemical compound with molecular formula C10H10N4O and molecular weight 202.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,2,4-triazol-1-ylmethyl)benzamide
Also Known As: N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide, N-(1,2,4-triazol-1-ylmethyl)benzamide, N-((1H-1,2,4-triazol-1-yl)methyl)benzamide
Technical Specifications
| Molecular Formula | C10H10N4O |
| Molecular Weight | 202.08546 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.08546 Da |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NCN2C=NC=N2 |
| InChIKey | GQHUNUMMMKVNFK-UHFFFAOYSA-N |
Chemical Property Profile of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide
Property Insights of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide. With a topological polar surface area (TPSA) of 59.8 Ų, N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide?
The CAS number of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide is 127843-33-8.
What is the molecular formula of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide?
The molecular formula of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide is C10H10N4O.
What is the molecular weight of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide?
The molecular weight of N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide is 202.08546 g/mol.
Where can I buy N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide?
You can request a quote for N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(1H-1,2,4-Triazol-1-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.