(4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
TL;DR: (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CAS 442667-16-5) is a chemical compound with molecular formula C14H17N5O and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
Also Known As: (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone, 1H-1,2,4-triazol-3-yl 4-benzylpiperazinyl ketone, 1-Benzyl-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine, A2829/0119486, 1-Benzyl-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine #
| Molecular Formula | C14H17N5O |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.1433 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 442667-16-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NC=NN3 |
| InChIKey | YPDUKPMDFAZLGT-UHFFFAOYSA-N |
Product Overview
(4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CAS 442667-16-5), with molecular formula C14H17N5O and molecular weight 271.14 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
Chemical Property Profile of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
Property Insights of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone. Following Lipinski's Rule of Five, (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone 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 (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The CAS number of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is 442667-16-5.
What is the molecular formula of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The molecular formula of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is C14H17N5O.
What is the molecular weight of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The molecular weight of (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is 271.14 g/mol.
Where can I buy (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
You can request a quote for (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.