1-(1-fluorotriazol-4-yl)propan-2-one

C5H6FN3O — CID 138495497

IUPAC1-(1-fluorotriazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(F)nn1
InChIInChI=1S/C5H6FN3O/c1-4(10)2-5-3-9(6)8-7-5/h3H,2H2,1H3
InChIKeyPNYNYRPQRYVBRZ-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.14
Rot. Bonds2

About 1-(1-fluorotriazol-4-yl)propan-2-one

1-(1-fluorotriazol-4-yl)propan-2-one (PubChem CID 138495497) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 1-(1-fluorotriazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-fluorotriazol-4-yl)propan-2-one
PubChem CID138495497
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name1-(1-fluorotriazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cn(F)nn1
InChIInChI=1S/C5H6FN3O/c1-4(10)2-5-3-9(6)8-7-5/h3H,2H2,1H3
InChIKeyPNYNYRPQRYVBRZ-UHFFFAOYSA-N
XLogP0.14
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-fluorotriazol-4-yl)propan-2-one 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-(1-fluorotriazol-4-yl)propan-2-one?
The IUPAC name of 1-(1-fluorotriazol-4-yl)propan-2-one (CID 138495497) is 1-(1-fluorotriazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-fluorotriazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-fluorotriazol-4-yl)propan-2-one is CC(=O)Cc1cn(F)nn1.
What is the InChIKey of 1-(1-fluorotriazol-4-yl)propan-2-one?
The InChIKey is PNYNYRPQRYVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-4(10)2-5-3-9(6)8-7-5/h3H,2H2,1H3.
What are the key properties of 1-(1-fluorotriazol-4-yl)propan-2-one?
1-(1-fluorotriazol-4-yl)propan-2-one has a molecular weight of 143.12 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorotriazol-4-yl)propan-2-one is sourced from PubChem (CID 138495497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).