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

C9H10N4O3S — CID 24851813

IUPAC4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
SMILESCn1c(-c2cc[nH]c(=O)c2)nnc1S(C)(=O)=O
InChIInChI=1S/C9H10N4O3S/c1-13-8(6-3-4-10-7(14)5-6)11-12-9(13)17(2,15)16/h3-5H,1-2H3,(H,10,14)
InChIKeyBMYBHKLAZPHMAP-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.43
Rot. Bonds2

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

4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one (PubChem CID 24851813) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
PubChem CID24851813
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
SMILESCn1c(-c2cc[nH]c(=O)c2)nnc1S(C)(=O)=O
InChIInChI=1S/C9H10N4O3S/c1-13-8(6-3-4-10-7(14)5-6)11-12-9(13)17(2,15)16/h3-5H,1-2H3,(H,10,14)
InChIKeyBMYBHKLAZPHMAP-UHFFFAOYSA-N
XLogP-0.43
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one (CID 24851813) is 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one is Cn1c(-c2cc[nH]c(=O)c2)nnc1S(C)(=O)=O.
What is the InChIKey of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
The InChIKey is BMYBHKLAZPHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-13-8(6-3-4-10-7(14)5-6)11-12-9(13)17(2,15)16/h3-5H,1-2H3,(H,10,14).
What are the key properties of 4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one has a molecular weight of 254.27 g/mol, XLogP of -0.43, 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)-1H-pyridin-2-one is sourced from PubChem (CID 24851813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).