3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine (CAS 441289-25-4) is a chemical compound with molecular formula C6H8N6 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-pyrazol-1-yl-1,2,4-triazol-4-amine
Also Known As: 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine, 3-methyl-5-pyrazol-1-yl-1,2,4-triazol-4-amine, A2431/0102960
| Molecular Formula | C6H8N6 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08104 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 441289-25-4 |
|---|---|
| SMILES | CC1=NN=C(N1N)N2C=CC=N2 |
| InChIKey | IUQMHABMYILHKO-UHFFFAOYSA-N |
Product Overview
3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine (CAS 441289-25-4), with molecular formula C6H8N6 and molecular weight 164.08 g/mol. IUPAC: 3-methyl-5-pyrazol-1-yl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
The XLogP value of -0.1 indicates that 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine 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-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine is 441289-25-4.
What is the molecular formula of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine is C6H8N6.
What is the molecular weight of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine is 164.08 g/mol.
Where can I buy 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-(1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.