(3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone
TL;DR: (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone (CAS 108015-72-1) is a chemical compound with molecular formula C9H8N4O and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1,2,4-triazol-1-yl)-phenylmethanone
Also Known As: ChemDiv3_003846, 1-benzoyl-1H-1,2,4-triazol-3-amine, (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone, IDI1_021756, 3-amino(1,2,4-triazolyl) phenyl ketone
| Molecular Formula | C9H8N4O |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.06981 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 108015-72-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C=NC(=N2)N |
| InChIKey | MXFPYXKIZFIHEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone (CAS 108015-72-1), with molecular formula C9H8N4O and molecular weight 188.07 g/mol. IUPAC: (3-amino-1,2,4-triazol-1-yl)-phenylmethanone.
Chemical Property Profile of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone
Property Insights of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone. Following Lipinski's Rule of Five, (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone has 1 hydrogen bond donor(s) and 4 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 (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone?
The CAS number of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone is 108015-72-1.
What is the molecular formula of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone?
The molecular formula of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone is C9H8N4O.
What is the molecular weight of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone?
The molecular weight of (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone is 188.07 g/mol.
Where can I buy (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone?
You can request a quote for (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-amino-1H-1,2,4-triazol-1-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.