N-propan-2-yl-1,2,4-triazol-4-amine
TL;DR: N-propan-2-yl-1,2,4-triazol-4-amine (CAS 114274-08-7) is a chemical compound with molecular formula C5H10N4 and molecular weight 126.090546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-propan-2-yl-1,2,4-triazol-4-amine
Also Known As: 4-(isopropylamino)-1,2,4-triazole, N-propan-2-yl-1,2,4-triazol-4-amine, 4-(Isopropylamino)-4H-1,2,4-triazole, J1.539.747K, N-(propan-2-yl)-4H-1,2,4-triazol-4-amine
Technical Specifications
| Molecular Formula | C5H10N4 |
| Molecular Weight | 126.090546 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.090546 Da |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
| SMILES | CC(C)NN1C=NN=C1 |
| InChIKey | XEMZRAAZIMXEEO-UHFFFAOYSA-N |
Chemical Property Profile of N-propan-2-yl-1,2,4-triazol-4-amine
Property Insights of N-propan-2-yl-1,2,4-triazol-4-amine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-propan-2-yl-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 42.7 Ų, N-propan-2-yl-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-propan-2-yl-1,2,4-triazol-4-amine 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-propan-2-yl-1,2,4-triazol-4-amine?
The CAS number of N-propan-2-yl-1,2,4-triazol-4-amine is 114274-08-7.
What is the molecular formula of N-propan-2-yl-1,2,4-triazol-4-amine?
The molecular formula of N-propan-2-yl-1,2,4-triazol-4-amine is C5H10N4.
What is the molecular weight of N-propan-2-yl-1,2,4-triazol-4-amine?
The molecular weight of N-propan-2-yl-1,2,4-triazol-4-amine is 126.090546 g/mol.
Where can I buy N-propan-2-yl-1,2,4-triazol-4-amine?
You can request a quote for N-propan-2-yl-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-propan-2-yl-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for N-propan-2-yl-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.