4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one

C9H14N4O — CID 121208022

IUPAC4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one
SMILESO=c1n(C2CNC2)cnn1CC1CC1
InChIInChI=1S/C9H14N4O/c14-9-12(8-3-10-4-8)6-11-13(9)5-7-1-2-7/h6-8,10H,1-5H2
InChIKeyABYPZOVZVNTZIQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.40
Rot. Bonds3

About 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one

4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one (PubChem CID 121208022) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one
PubChem CID121208022
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one
SMILESO=c1n(C2CNC2)cnn1CC1CC1
InChIInChI=1S/C9H14N4O/c14-9-12(8-3-10-4-8)6-11-13(9)5-7-1-2-7/h6-8,10H,1-5H2
InChIKeyABYPZOVZVNTZIQ-UHFFFAOYSA-N
XLogP-0.40
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-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)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one (CID 121208022) is 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one is O=c1n(C2CNC2)cnn1CC1CC1.
What is the InChIKey of 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one?
The InChIKey is ABYPZOVZVNTZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-12(8-3-10-4-8)6-11-13(9)5-7-1-2-7/h6-8,10H,1-5H2.
What are the key properties of 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one?
4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one has a molecular weight of 194.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121208022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).