(E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 850157-48-1) is a chemical compound with molecular formula C12H13N7S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(3-methylpyrazol-5-yl)-1,2,4-tri azole-3-thiol
| Molecular Formula | C12H13N7S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 1.85991 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0953 |
| Heavy Atoms | 20 |
| Complexity | 816.84576 |
Chemical Identifiers
| CAS Number | 850157-48-1 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC=CN3C |
Product Overview
(E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol (CAS 850157-48-1), with molecular formula C12H13N7S and molecular weight 287.10 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.85991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol. The TPSA of 79.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol has 2 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 (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol is 850157-48-1.
What is the molecular formula of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol is C12H13N7S.
What is the molecular weight of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol is 287.10 g/mol.
Where can I buy (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-methyl-1H-pyrazol-5-yl)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.