4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile

C9H7N5S — CID 63885411

IUPAC4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ncn[nH]2)ccn1
InChIInChI=1S/C9H7N5S/c10-4-8-3-7(1-2-11-8)5-15-9-12-6-13-14-9/h1-3,6H,5H2,(H,12,13,14)
InChIKeyKMDJCYGNIJRARJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.36
Rot. Bonds3

About 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile

4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile (PubChem CID 63885411) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
PubChem CID63885411
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ncn[nH]2)ccn1
InChIInChI=1S/C9H7N5S/c10-4-8-3-7(1-2-11-8)5-15-9-12-6-13-14-9/h1-3,6H,5H2,(H,12,13,14)
InChIKeyKMDJCYGNIJRARJ-UHFFFAOYSA-N
XLogP1.36
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile 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

N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467300
4-[(4-bromophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884833
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63886379
3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 55209838
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885602
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884637
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
CID 728267
4-[(6-amino-3-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881760
4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63885408
4-[(3-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881758
4-(propylsulfanylmethyl)pyridine-2-carbonitrile
CID 63884249

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile (CID 63885411) is 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile is N#Cc1cc(CSc2ncn[nH]2)ccn1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile?
The InChIKey is KMDJCYGNIJRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-4-8-3-7(1-2-11-8)5-15-9-12-6-13-14-9/h1-3,6H,5H2,(H,12,13,14).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile?
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile has a molecular weight of 217.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63885411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).