4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one

C10H14F2N4O — CID 121208070

IUPAC4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one
SMILESO=c1n(CC(F)F)nc(C2CC2)n1C1CNC1
InChIInChI=1S/C10H14F2N4O/c11-8(12)5-15-10(17)16(7-3-13-4-7)9(14-15)6-1-2-6/h6-8,13H,1-5H2
InChIKeyAPYYOYRJRHTZDH-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.33
Rot. Bonds4

About 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one

4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one (PubChem CID 121208070) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one
PubChem CID121208070
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one
SMILESO=c1n(CC(F)F)nc(C2CC2)n1C1CNC1
InChIInChI=1S/C10H14F2N4O/c11-8(12)5-15-10(17)16(7-3-13-4-7)9(14-15)6-1-2-6/h6-8,13H,1-5H2
InChIKeyAPYYOYRJRHTZDH-UHFFFAOYSA-N
XLogP0.33
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-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 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one (CID 121208070) is 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one is O=c1n(CC(F)F)nc(C2CC2)n1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one?
The InChIKey is APYYOYRJRHTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-8(12)5-15-10(17)16(7-3-13-4-7)9(14-15)6-1-2-6/h6-8,13H,1-5H2.
What are the key properties of 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one?
4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one has a molecular weight of 244.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-5-cyclopropyl-2-(2,2-difluoroethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121208070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).