2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile

C16H16N6S — CID 133396948

IUPAC2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(Sc2nc3nc(C)c(C)c(C)n3n2)c(C#N)c(C)n1
InChIInChI=1S/C16H16N6S/c1-8-6-14(13(7-17)11(4)18-8)23-16-20-15-19-10(3)9(2)12(5)22(15)21-16/h6H,1-5H3
InChIKeyJVDSKXHGZFRVJA-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.08
Rot. Bonds2

About 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile

2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 133396948) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID133396948
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(Sc2nc3nc(C)c(C)c(C)n3n2)c(C#N)c(C)n1
InChIInChI=1S/C16H16N6S/c1-8-6-14(13(7-17)11(4)18-8)23-16-20-15-19-10(3)9(2)12(5)22(15)21-16/h6H,1-5H3
InChIKeyJVDSKXHGZFRVJA-UHFFFAOYSA-N
XLogP3.08
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-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

Related Compounds

2,6-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 81052298
4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052061
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052450
4-(4-hydroxybutan-2-ylsulfanyl)-2,6-dimethylpyridine-3-carbonitrile
CID 81051993
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81054024
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]benzoic acid
CID 81053887
2-methyl-1-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propan-2-ol
CID 111112356
2,6-dimethyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133396557
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)sulfanyl]phenyl]acetamide
CID 81042138
5,6,7-trimethyl-2-[2-(4-methylphenyl)ethylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91643048
2-phenyl-1-pyrrolidin-1-yl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 55737932
4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 52558933

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 133396948) is 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile is Cc1cc(Sc2nc3nc(C)c(C)c(C)n3n2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is JVDSKXHGZFRVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-8-6-14(13(7-17)11(4)18-8)23-16-20-15-19-10(3)9(2)12(5)22(15)21-16/h6H,1-5H3.
What are the key properties of 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 324.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 133396948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).