4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine

C9H12N4O2S — CID 141204989

IUPAC4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
SMILESCn1c(C2=CCNC=C2)nnc1S(C)(=O)=O
InChIInChI=1S/C9H12N4O2S/c1-13-8(7-3-5-10-6-4-7)11-12-9(13)16(2,14)15/h3-5,10H,6H2,1-2H3
InChIKeyCQLKQRVNDXNEOE-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.28
Rot. Bonds2

About 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine

4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine (PubChem CID 141204989) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
PubChem CID141204989
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine
SMILESCn1c(C2=CCNC=C2)nnc1S(C)(=O)=O
InChIInChI=1S/C9H12N4O2S/c1-13-8(7-3-5-10-6-4-7)11-12-9(13)16(2,14)15/h3-5,10H,6H2,1-2H3
InChIKeyCQLKQRVNDXNEOE-UHFFFAOYSA-N
XLogP-0.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methanesulfonyl-4-methyl-4H-[1,2,4]triazol-3-yl)-1H-pyridin-2-one
CID 24851813
4-(5-Methanesulfonyl-4-methyl-4H-[1,2,4]triazol-3-yl)-1-methyl-1H-pyridin-2-one
CID 24851817
1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine
CID 141204986
1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2H-pyridine
CID 141204988
4-ethyl-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107389
4-methyl-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107392
4-(2-methylpropyl)-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107394
5-(2-oxo-1H-pyridin-4-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 108107398
4-ethyl-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonamide
CID 108107404
5-(2-oxo-1H-pyridin-4-yl)-4-propyl-1,2,4-triazole-3-sulfonamide
CID 108107405
4-methyl-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonamide
CID 108107408
4-(2-methylpropyl)-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonamide
CID 108107410

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
The IUPAC name of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine (CID 141204989) is 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
The canonical SMILES for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine is Cn1c(C2=CCNC=C2)nnc1S(C)(=O)=O.
What is the InChIKey of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
The InChIKey is CQLKQRVNDXNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-13-8(7-3-5-10-6-4-7)11-12-9(13)16(2,14)15/h3-5,10H,6H2,1-2H3.
What are the key properties of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine?
4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine has a molecular weight of 240.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1,2-dihydropyridine is sourced from PubChem (CID 141204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).