[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone

C12H11FN4O — CID 116590706

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H11FN4O/c13-9-3-1-2-8(4-9)12(18)11-7-17(16-15-11)10-5-14-6-10/h1-4,7,10,14H,5-6H2
InChIKeyDRCQLKGMYAKUPB-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.79
Rot. Bonds3

About [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone

[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone (PubChem CID 116590706) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
PubChem CID116590706
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H11FN4O/c13-9-3-1-2-8(4-9)12(18)11-7-17(16-15-11)10-5-14-6-10/h1-4,7,10,14H,5-6H2
InChIKeyDRCQLKGMYAKUPB-UHFFFAOYSA-N
XLogP0.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
CID 79320078
[1-(azetidin-3-yl)triazol-4-yl]-naphthalen-1-ylmethanone
CID 116590778
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2,4-difluorophenyl)ethanone
CID 116590710
[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 116590655
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4-fluorophenyl)ethanone
CID 116590597
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116590617
(3-fluorophenyl)-[1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazol-4-yl]methanone
CID 130274027
[1-(azetidin-3-yl)triazol-4-yl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883087
[1-(azetidin-3-yl)triazol-4-yl]-(5-methylthiophen-2-yl)methanone
CID 116590601
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(3,4-difluorophenyl)ethanone
CID 116590732
(2-chloro-5-fluorophenyl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 105396445
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone (CID 116590706) is [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1cn(C2CNC2)nn1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone?
The InChIKey is DRCQLKGMYAKUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-9-3-1-2-8(4-9)12(18)11-7-17(16-15-11)10-5-14-6-10/h1-4,7,10,14H,5-6H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone?
[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone has a molecular weight of 246.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 116590706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).