1H-1,2,4-Triazole, 1-(2-propenyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(2-propenyl)- (CAS 2199982-46-0) is a chemical compound with molecular formula C5H7N3 and molecular weight 109.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enyl-1,2,4-triazole
Also Known As: 1-prop-2-enyl-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(2-propenyl)-, 1-allyl-[1,2,4]triazole, 1-allyl-1,2,4-triazole, 1-(prop-2-en-1-yl)-1H-1,2,4-triazole
| Molecular Formula | C5H7N3 |
|---|---|
| Molecular Weight | 109.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.063995 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 2199982-46-0 |
|---|---|
| SMILES | C=CCN1C=NC=N1 |
| InChIKey | IADAMWWRAKRHRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole, 1-(2-propenyl)- (CAS 2199982-46-0), with molecular formula C5H7N3 and molecular weight 109.06 g/mol. IUPAC: 1-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-propenyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(2-propenyl)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-(2-propenyl)-. With a topological polar surface area (TPSA) of 30.7 Ų, 1H-1,2,4-Triazole, 1-(2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-propenyl)- has 0 hydrogen bond donor(s) and 2 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 1H-1,2,4-Triazole, 1-(2-propenyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-propenyl)- is 2199982-46-0.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-propenyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-propenyl)- is C5H7N3.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-propenyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-propenyl)- is 109.06 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-propenyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.