InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H
TL;DR: InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H (CAS 69463-20-3) is a chemical compound with molecular formula C6H7N3O2 and molecular weight 153.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-ethenyltriazole-4-carboxylate
Also Known As: Methyl 1-ethenyltriazole-4-carboxylate, 1H-1,2,3-Triazole-4-carboxylicacid,1-ethenyl-,methylester, 1H-1,2,3-Triazole-4-carboxylic acid, 1-ethenyl-, methyl ester (9CI), InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H
| Molecular Formula | C6H7N3O2 |
|---|---|
| Molecular Weight | 153.05 g/mol |
| LogP | 0.1652 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.05383 |
| Heavy Atoms | 11 |
| Complexity | 279.10968 |
Chemical Identifiers
| CAS Number | 69463-20-3 |
|---|---|
| SMILES | COC(=O)C1=CN(N=N1)C=C |
Product Overview
InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H (CAS 69463-20-3), with molecular formula C6H7N3O2 and molecular weight 153.05 g/mol. IUPAC: methyl 1-ethenyltriazole-4-carboxylate.
Chemical Property Profile of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H
Property Insights of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H
The XLogP value of 0.1652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H. With a topological polar surface area (TPSA) of 57.01 Ų, InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H has 0 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 InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H?
The CAS number of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H is 69463-20-3.
What is the molecular formula of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H?
The molecular formula of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H is C6H7N3O2.
What is the molecular weight of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H?
The molecular weight of InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H is 153.05 g/mol.
Where can I buy InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H?
You can request a quote for InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C6H7N3O2/c1-3-9-4-5(7-8-9)6(10)11-2/h3-4H,1H2,2H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.