N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide
TL;DR: N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide (CAS 345258-17-5) is a chemical compound with molecular formula C13H18N4O and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-1,2,4-triazol-5-yl)adamantane-1-carboxamide
Also Known As: N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide, N-(1H-1,2,4-triazol-5-yl)adamantane-1-carboxamide, AH-357/03533002, N-(2H-1,2,4-triazol-3-yl)adamantane-1-carboxamide, N-(4H-1,2,4-triazol-3-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C13H18N4O |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 1.9596 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.14806 |
| Heavy Atoms | 18 |
| Complexity | 432.0614 |
Chemical Identifiers
| CAS Number | 345258-17-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC=NN4 |
Product Overview
N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide (CAS 345258-17-5), with molecular formula C13H18N4O and molecular weight 246.15 g/mol. IUPAC: N-(1H-1,2,4-triazol-5-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide
Property Insights of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide
The XLogP value of 1.9596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide. Following Lipinski's Rule of Five, N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide has 2 hydrogen bond donor(s) and 3 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-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide?
The CAS number of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide is 345258-17-5.
What is the molecular formula of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide?
The molecular formula of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide is C13H18N4O.
What is the molecular weight of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide?
The molecular weight of N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide is 246.15 g/mol.
Where can I buy N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide?
You can request a quote for N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,4-triazol-3-yl)-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.