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

C10H12N4OS — CID 24852061

IUPAC1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCSc1nnc(-c2ccn(C)c(=O)c2)n1C
InChIInChI=1S/C10H12N4OS/c1-13-5-4-7(6-8(13)15)9-11-12-10(16-3)14(9)2/h4-6H,1-3H3
InChIKeyXOXMZXVWQRVRSA-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.90
Rot. Bonds2

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

1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one (PubChem CID 24852061) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
PubChem CID24852061
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCSc1nnc(-c2ccn(C)c(=O)c2)n1C
InChIInChI=1S/C10H12N4OS/c1-13-5-4-7(6-8(13)15)9-11-12-10(16-3)14(9)2/h4-6H,1-3H3
InChIKeyXOXMZXVWQRVRSA-UHFFFAOYSA-N
XLogP0.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one (CID 24852061) is 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one is CSc1nnc(-c2ccn(C)c(=O)c2)n1C.
What is the InChIKey of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one?
The InChIKey is XOXMZXVWQRVRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-13-5-4-7(6-8(13)15)9-11-12-10(16-3)14(9)2/h4-6H,1-3H3.
What are the key properties of 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one?
1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one has a molecular weight of 236.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one is sourced from PubChem (CID 24852061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).