N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide
TL;DR: N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide (CAS 900014-14-4) is a chemical compound with molecular formula C12H11N7O and molecular weight 269.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide, A4043/0172386, N-benzyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide, N-BENZYL-5-(4H-1,2,4-TRIAZOL-4-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE
| Molecular Formula | C12H11N7O |
|---|---|
| Molecular Weight | 269.10 g/mol |
| LogP | 0.3154 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1025 |
| Heavy Atoms | 20 |
| Complexity | 689.6912 |
Chemical Identifiers
| CAS Number | 900014-14-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=NC(=NN2)N3C=NN=C3 |
Product Overview
N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide (CAS 900014-14-4), with molecular formula C12H11N7O and molecular weight 269.10 g/mol. IUPAC: N-benzyl-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide
Property Insights of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide
The XLogP value of 0.3154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide. Following Lipinski's Rule of Five, N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide?
The CAS number of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide is 900014-14-4.
What is the molecular formula of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide?
The molecular formula of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide is C12H11N7O.
What is the molecular weight of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide?
The molecular weight of N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide is 269.10 g/mol.
Where can I buy N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide?
You can request a quote for N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2H-3,4'-bi-1,2,4-triazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.