2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine

C13H12N6S — CID 646713

IUPAC2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine
SMILESCn1c(SCc2ccccn2)nnc1-c1cnccn1
InChIInChI=1S/C13H12N6S/c1-19-12(11-8-14-6-7-16-11)17-18-13(19)20-9-10-4-2-3-5-15-10/h2-8H,9H2,1H3
InChIKeyZGQBQQJPPBLAES-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.96
Rot. Bonds4

About 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine

2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine (PubChem CID 646713) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine
PubChem CID646713
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine
SMILESCn1c(SCc2ccccn2)nnc1-c1cnccn1
InChIInChI=1S/C13H12N6S/c1-19-12(11-8-14-6-7-16-11)17-18-13(19)20-9-10-4-2-3-5-15-10/h2-8H,9H2,1H3
InChIKeyZGQBQQJPPBLAES-UHFFFAOYSA-N
XLogP1.96
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
3-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
N-{5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridin-3-amine
CID 16756162
5-[3-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1-(2,4,6-trifluorophenyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 126535470
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
3-(Cinnamylthio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-amine
CID 2024171
3-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 933308
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
2-{4-methyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyrazine
CID 931943
4-{5-[(3-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine
CID 936160

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine (CID 646713) is 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine is Cn1c(SCc2ccccn2)nnc1-c1cnccn1.
What is the InChIKey of 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is ZGQBQQJPPBLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-19-12(11-8-14-6-7-16-11)17-18-13(19)20-9-10-4-2-3-5-15-10/h2-8H,9H2,1H3.
What are the key properties of 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine?
2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 284.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 646713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).