1-(Phenylmethyl)-1H-1,2,4-triazole
TL;DR: 1-(Phenylmethyl)-1H-1,2,4-triazole (CAS 6085-94-5) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1,2,4-triazole
Also Known As: 1-Benzyl-1,2,4-triazole, 1-Benzyl-1H-1,2,4-triazole, 1-Benzyl-s-triazole, Rizatriptan Impurity 23, N-benzyl-1,2,4-triazole
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 6085-94-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC=N2 |
| InChIKey | BNWQEHYYXTVKOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylmethyl)-1H-1,2,4-triazole (CAS 6085-94-5), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 1-benzyl-1,2,4-triazole.
Chemical Property Profile of 1-(Phenylmethyl)-1H-1,2,4-triazole
Property Insights of 1-(Phenylmethyl)-1H-1,2,4-triazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylmethyl)-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-(Phenylmethyl)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylmethyl)-1H-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 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 1-(Phenylmethyl)-1H-1,2,4-triazole?
The CAS number of 1-(Phenylmethyl)-1H-1,2,4-triazole is 6085-94-5.
What is the molecular formula of 1-(Phenylmethyl)-1H-1,2,4-triazole?
The molecular formula of 1-(Phenylmethyl)-1H-1,2,4-triazole is C9H9N3.
What is the molecular weight of 1-(Phenylmethyl)-1H-1,2,4-triazole?
The molecular weight of 1-(Phenylmethyl)-1H-1,2,4-triazole is 159.08 g/mol.
Where can I buy 1-(Phenylmethyl)-1H-1,2,4-triazole?
You can request a quote for 1-(Phenylmethyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylmethyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylmethyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.