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

C9H10N4O — CID 90251202

IUPAC5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one
SMILESCc1nnc(C)n1-c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10N4O/c1-6-11-12-7(2)13(6)8-3-4-9(14)10-5-8/h3-5H,1-2H3,(H,10,14)
InChIKeyCNULVKZTAVWQRV-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.57
Rot. Bonds1

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

5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one (PubChem CID 90251202) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one
PubChem CID90251202
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one
SMILESCc1nnc(C)n1-c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10N4O/c1-6-11-12-7(2)13(6)8-3-4-9(14)10-5-8/h3-5H,1-2H3,(H,10,14)
InChIKeyCNULVKZTAVWQRV-UHFFFAOYSA-N
XLogP0.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one (CID 90251202) is 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one is Cc1nnc(C)n1-c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one?
The InChIKey is CNULVKZTAVWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-11-12-7(2)13(6)8-3-4-9(14)10-5-8/h3-5H,1-2H3,(H,10,14).
What are the key properties of 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one?
5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one has a molecular weight of 190.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 90251202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).