1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide
TL;DR: 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide (CAS 700852-71-7) is a chemical compound with molecular formula C13H11N5O and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-pyridin-3-ylbenzotriazole-5-carboxamide
Also Known As: SDCCGMLS-0045800.P002, BAS 07211514, 1-methyl-N-pyridin-3-ylbenzotriazole-5-carboxamide, (1-methylbenzotriazol-5-yl)-N-(3-pyridyl)carboxamide, 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide
| Molecular Formula | C13H11N5O |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 1.6156 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.09636 |
| Heavy Atoms | 19 |
| Complexity | 735.1332 |
Chemical Identifiers
| CAS Number | 700852-71-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)NC3=CN=CC=C3)N=N1 |
Product Overview
1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide (CAS 700852-71-7), with molecular formula C13H11N5O and molecular weight 253.10 g/mol. IUPAC: 1-methyl-N-pyridin-3-ylbenzotriazole-5-carboxamide.
Chemical Property Profile of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide
Property Insights of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide
The XLogP value of 1.6156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide. Following Lipinski's Rule of Five, 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-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 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide?
The CAS number of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide is 700852-71-7.
What is the molecular formula of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide?
The molecular formula of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide is C13H11N5O.
What is the molecular weight of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide?
The molecular weight of 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide is 253.10 g/mol.
Where can I buy 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide?
You can request a quote for 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-3-pyridinyl-1H-1,2,3-benzotriazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.