5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one

C12H16N4O — CID 135438451

IUPAC5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2nc(C)nn2C)c(C)[nH]c1=O
InChIInChI=1S/C12H16N4O/c1-5-9-6-10(7(2)13-12(9)17)11-14-8(3)15-16(11)4/h6H,5H2,1-4H3,(H,13,17)
InChIKeyILPHROZZZCUCEV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds2

About 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one

5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 135438451) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID135438451
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2nc(C)nn2C)c(C)[nH]c1=O
InChIInChI=1S/C12H16N4O/c1-5-9-6-10(7(2)13-12(9)17)11-14-8(3)15-16(11)4/h6H,5H2,1-4H3,(H,13,17)
InChIKeyILPHROZZZCUCEV-UHFFFAOYSA-N
XLogP1.35
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one (CID 135438451) is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one is CCc1cc(-c2nc(C)nn2C)c(C)[nH]c1=O.
What is the InChIKey of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is ILPHROZZZCUCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-5-9-6-10(7(2)13-12(9)17)11-14-8(3)15-16(11)4/h6H,5H2,1-4H3,(H,13,17).
What are the key properties of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one?
5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 135438451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).