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

C10H12N4O — CID 11708270

IUPAC3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one
SMILESCCc1cc(-n2ccnn2)c(C)[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-3-8-6-9(7(2)12-10(8)15)14-5-4-11-13-14/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyCOIKIMYEMYVCOR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.83
Rot. Bonds2

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

3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one (PubChem CID 11708270) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one
PubChem CID11708270
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one
SMILESCCc1cc(-n2ccnn2)c(C)[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-3-8-6-9(7(2)12-10(8)15)14-5-4-11-13-14/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyCOIKIMYEMYVCOR-UHFFFAOYSA-N
XLogP0.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one (CID 11708270) is 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one is CCc1cc(-n2ccnn2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is COIKIMYEMYVCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-8-6-9(7(2)12-10(8)15)14-5-4-11-13-14/h4-6H,3H2,1-2H3,(H,12,15).
What are the key properties of 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one?
3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-(triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 11708270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).