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

C11H11N5S — CID 104603069

IUPAC4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2ncnn2C)n1
InChIInChI=1S/C11H11N5S/c1-7-4-8(2)15-10(9(7)5-12)17-11-13-6-14-16(11)3/h4,6H,1-3H3
InChIKeyHXUZBQGWCGCXSU-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.85
Rot. Bonds2

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

4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 104603069) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID104603069
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2ncnn2C)n1
InChIInChI=1S/C11H11N5S/c1-7-4-8(2)15-10(9(7)5-12)17-11-13-6-14-16(11)3/h4,6H,1-3H3
InChIKeyHXUZBQGWCGCXSU-UHFFFAOYSA-N
XLogP1.85
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 104603094
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104603070
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 61370423
2-[(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2816093
2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 104590981
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554315
5-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 114893494
4-bromo-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 114905050
4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603371

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (CID 104603069) is 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Sc2ncnn2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is HXUZBQGWCGCXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-4-8(2)15-10(9(7)5-12)17-11-13-6-14-16(11)3/h4,6H,1-3H3.
What are the key properties of 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 104603069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).