N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
TL;DR: N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide (CAS 6494-13-9) is a chemical compound with molecular formula C9H15N5O2 and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
Also Known As: N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide, N-(Butan-2-yl)-3-formamido-N-methyl-1H-1,2,4-triazole-1-carboxamide, N-SEC-BUTYL-N-METHYL-3-FORMAMIDO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE, 1H-1,2,4-Triazole-1-carboxamide, 3-(formylamino)-N-methyl-N-(1-methylpropyl)-
| Molecular Formula | C9H15N5O2 |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.12257 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 6494-13-9 |
|---|---|
| SMILES | CCC(C)N(C)C(=O)N1C=NC(=N1)NC=O |
| InChIKey | HNURKAGQUCOHDE-UHFFFAOYSA-N |
Product Overview
N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide (CAS 6494-13-9), with molecular formula C9H15N5O2 and molecular weight 225.12 g/mol. IUPAC: N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide.
Chemical Property Profile of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
Property Insights of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide. Following Lipinski's Rule of Five, N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide 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 N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide?
The CAS number of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide is 6494-13-9.
What is the molecular formula of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide?
The molecular formula of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide is C9H15N5O2.
What is the molecular weight of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide?
The molecular weight of N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide is 225.12 g/mol.
Where can I buy N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide?
You can request a quote for N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.