6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

C13H9N5OS — CID 18167851

IUPAC6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
SMILESCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1
InChIInChI=1S/C13H9N5OS/c1-18-12(10-3-2-6-19-10)16-17-13(18)20-11-5-4-9(7-14)8-15-11/h2-6,8H,1H3
InChIKeyJLHFZHKSZCOKEP-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.49
Rot. Bonds3

About 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile (PubChem CID 18167851) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
PubChem CID18167851
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
SMILESCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1
InChIInChI=1S/C13H9N5OS/c1-18-12(10-3-2-6-19-10)16-17-13(18)20-11-5-4-9(7-14)8-15-11/h2-6,8H,1H3
InChIKeyJLHFZHKSZCOKEP-UHFFFAOYSA-N
XLogP2.49
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile (CID 18167851) is 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile is Cn1c(Sc2ccc(C#N)cn2)nnc1-c1ccco1.
What is the InChIKey of 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile?
The InChIKey is JLHFZHKSZCOKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-18-12(10-3-2-6-19-10)16-17-13(18)20-11-5-4-9(7-14)8-15-11/h2-6,8H,1H3.
What are the key properties of 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile?
6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile has a molecular weight of 283.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 18167851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).