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

C15H11N5S — CID 133391894

IUPAC6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile
SMILESCn1c(Sc2cccc(C#N)n2)nnc1-c1ccccc1
InChIInChI=1S/C15H11N5S/c1-20-14(11-6-3-2-4-7-11)18-19-15(20)21-13-9-5-8-12(10-16)17-13/h2-9H,1H3
InChIKeyVSEFBSOACBZVGU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.90
Rot. Bonds3

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

6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile (PubChem CID 133391894) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile
PubChem CID133391894
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile
SMILESCn1c(Sc2cccc(C#N)n2)nnc1-c1ccccc1
InChIInChI=1S/C15H11N5S/c1-20-14(11-6-3-2-4-7-11)18-19-15(20)21-13-9-5-8-12(10-16)17-13/h2-9H,1H3
InChIKeyVSEFBSOACBZVGU-UHFFFAOYSA-N
XLogP2.90
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
CID 133391886
6-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
CID 133392002
6-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
CID 133391985
6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyridine-2-carbonitrile
CID 107785888
6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-3-carbonitrile
CID 133434118
16-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 2815932
2,6-dimethyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133396557
(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one
CID 40591269
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 9484439
4-methyl-3-[[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 4003653
6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-2-phenylpyridine
CID 133408311
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile (CID 133391894) is 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile is Cn1c(Sc2cccc(C#N)n2)nnc1-c1ccccc1.
What is the InChIKey of 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile?
The InChIKey is VSEFBSOACBZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-20-14(11-6-3-2-4-7-11)18-19-15(20)21-13-9-5-8-12(10-16)17-13/h2-9H,1H3.
What are the key properties of 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile?
6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile has a molecular weight of 293.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 133391894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).