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

C20H14N6S — CID 133391886

IUPAC6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
SMILESCc1ccccc1-n1c(Sc2cccc(C#N)n2)nnc1-c1ccncc1
InChIInChI=1S/C20H14N6S/c1-14-5-2-3-7-17(14)26-19(15-9-11-22-12-10-15)24-25-20(26)27-18-8-4-6-16(13-21)23-18/h2-12H,1H3
InChIKeyOXLFGCIXTVDZFV-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.06
Rot. Bonds4

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

6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile (PubChem CID 133391886) has the molecular formula C20H14N6S and a molecular weight of 370.44 g/mol. Its IUPAC name is 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
PubChem CID133391886
Molecular FormulaC20H14N6S
Molecular Weight370.44 g/mol
Exact Mass370.10
IUPAC Name6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
SMILESCc1ccccc1-n1c(Sc2cccc(C#N)n2)nnc1-c1ccncc1
InChIInChI=1S/C20H14N6S/c1-14-5-2-3-7-17(14)26-19(15-9-11-22-12-10-15)24-25-20(26)27-18-8-4-6-16(13-21)23-18/h2-12H,1H3
InChIKeyOXLFGCIXTVDZFV-UHFFFAOYSA-N
XLogP4.06
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133432753
6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile
CID 133391894
6-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133432992
N-(3-methylphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55317528
N-[4-[(2R)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]acetamide
CID 41030795
1-(azepan-1-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 55418661
(2S)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 2079710
ethyl 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 14066141
2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide
CID 55503503
N-carbamoyl-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2691093
(2S)-N-(4-bromophenyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 25393999
N-(4-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35137365

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile (CID 133391886) is 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile is Cc1ccccc1-n1c(Sc2cccc(C#N)n2)nnc1-c1ccncc1.
What is the InChIKey of 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile?
The InChIKey is OXLFGCIXTVDZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6S/c1-14-5-2-3-7-17(14)26-19(15-9-11-22-12-10-15)24-25-20(26)27-18-8-4-6-16(13-21)23-18/h2-12H,1H3.
What are the key properties of 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile?
6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile has a molecular weight of 370.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 133391886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).