1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-
TL;DR: 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- (CAS 127237-66-5) is a chemical compound with molecular formula C8H14N4 and molecular weight 166.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
Also Known As: 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-, 5-methyl-1-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole, 5-methyl-1-pyrrolidin-1-ylmethyl-1h-[1,2,4]triazole, 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole, InChI=1/C8H14N4/c1-8-9-6-10-12(8)7-11-4-2-3-5-11/h6H,2-5,7H2,1H
| Molecular Formula | C8H14N4 |
|---|---|
| Molecular Weight | 166.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.12184 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 127237-66-5 |
|---|---|
| SMILES | CC1=NC=NN1CN2CCCC2 |
| InChIKey | OYPDSCAWKORVKG-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- (CAS 127237-66-5), with molecular formula C8H14N4 and molecular weight 166.12 g/mol. IUPAC: 5-methyl-1-(pyrrolidin-1-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-
Property Insights of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-. With a topological polar surface area (TPSA) of 34.0 Ų, 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- has 0 hydrogen bond donor(s) and 3 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, 5-methyl-1-(1-pyrrolidinylmethyl)-?
The CAS number of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- is 127237-66-5.
What is the molecular formula of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-?
The molecular formula of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- is C8H14N4.
What is the molecular weight of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-?
The molecular weight of 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- is 166.12 g/mol.
Where can I buy 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)-?
You can request a quote for 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- 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, 5-methyl-1-(1-pyrrolidinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-triazole, 5-methyl-1-(1-pyrrolidinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.