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

C10H12N4O3S — CID 24851817

IUPAC1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCn1c(-c2ccn(C)c(=O)c2)nnc1S(C)(=O)=O
InChIInChI=1S/C10H12N4O3S/c1-13-5-4-7(6-8(13)15)9-11-12-10(14(9)2)18(3,16)17/h4-6H,1-3H3
InChIKeyFCVJZDCOFMWIKT-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.42
Rot. Bonds2

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

1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one (PubChem CID 24851817) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one
PubChem CID24851817
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCn1c(-c2ccn(C)c(=O)c2)nnc1S(C)(=O)=O
InChIInChI=1S/C10H12N4O3S/c1-13-5-4-7(6-8(13)15)9-11-12-10(14(9)2)18(3,16)17/h4-6H,1-3H3
InChIKeyFCVJZDCOFMWIKT-UHFFFAOYSA-N
XLogP-0.42
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one (CID 24851817) is 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one is Cn1c(-c2ccn(C)c(=O)c2)nnc1S(C)(=O)=O.
What is the InChIKey of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one?
The InChIKey is FCVJZDCOFMWIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-13-5-4-7(6-8(13)15)9-11-12-10(14(9)2)18(3,16)17/h4-6H,1-3H3.
What are the key properties of 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one?
1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one has a molecular weight of 268.30 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridin-2-one is sourced from PubChem (CID 24851817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).