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

C10H12N4O — CID 135425120

IUPAC3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCc1cc(-c2ncn[nH]2)c(C)[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-3-7-4-8(6(2)13-10(7)15)9-11-5-12-14-9/h4-5H,3H2,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyOWOAPSCGTDMSSH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.03
Rot. Bonds2

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

3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 135425120) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID135425120
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCc1cc(-c2ncn[nH]2)c(C)[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-3-7-4-8(6(2)13-10(7)15)9-11-5-12-14-9/h4-5H,3H2,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyOWOAPSCGTDMSSH-UHFFFAOYSA-N
XLogP1.03
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 135425120) is 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCc1cc(-c2ncn[nH]2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is OWOAPSCGTDMSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-7-4-8(6(2)13-10(7)15)9-11-5-12-14-9/h4-5H,3H2,1-2H3,(H,13,15)(H,11,12,14).
What are the key properties of 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-5-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135425120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).