[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone

C12H10Cl2N4O — CID 116590655

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cn(C2CNC2)nn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N4O/c13-7-1-2-10(14)9(3-7)12(19)11-6-18(17-16-11)8-4-15-5-8/h1-3,6,8,15H,4-5H2
InChIKeyVEHZTAGBTAWZTG-UHFFFAOYSA-N
MW297.14 g/mol
LogP1.96
Rot. Bonds3

About [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone

[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 116590655) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.14 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
PubChem CID116590655
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.14 g/mol
Exact Mass296.02
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cn(C2CNC2)nn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N4O/c13-7-1-2-10(14)9(3-7)12(19)11-6-18(17-16-11)8-4-15-5-8/h1-3,6,8,15H,4-5H2
InChIKeyVEHZTAGBTAWZTG-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone (CID 116590655) is [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cn(C2CNC2)nn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is VEHZTAGBTAWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-7-1-2-10(14)9(3-7)12(19)11-6-18(17-16-11)8-4-15-5-8/h1-3,6,8,15H,4-5H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone?
[1-(azetidin-3-yl)triazol-4-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 297.14 g/mol, XLogP of 1.96, 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]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 116590655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).