1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

C11H11F3N4O — CID 72883395

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCn1cnnc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H11F3N4O/c1-2-17-7-15-16-9(17)6-18-5-3-4-8(10(18)19)11(12,13)14/h3-5,7H,2,6H2,1H3
InChIKeyLPVGJBJWSAVTGW-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.53
Rot. Bonds3

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72883395) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID72883395
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCn1cnnc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H11F3N4O/c1-2-17-7-15-16-9(17)6-18-5-3-4-8(10(18)19)11(12,13)14/h3-5,7H,2,6H2,1H3
InChIKeyLPVGJBJWSAVTGW-UHFFFAOYSA-N
XLogP1.53
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 72883395) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is CCn1cnnc1Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is LPVGJBJWSAVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-2-17-7-15-16-9(17)6-18-5-3-4-8(10(18)19)11(12,13)14/h3-5,7H,2,6H2,1H3.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 272.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).