4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one

C9H16N4O — CID 121208032

IUPAC4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one
SMILESCc1nn(C(C)C)c(=O)n1C1CNC1
InChIInChI=1S/C9H16N4O/c1-6(2)13-9(14)12(7(3)11-13)8-4-10-5-8/h6,8,10H,4-5H2,1-3H3
InChIKeyHUXGIWBDWVMVLK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds2

About 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one

4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 121208032) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one
PubChem CID121208032
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one
SMILESCc1nn(C(C)C)c(=O)n1C1CNC1
InChIInChI=1S/C9H16N4O/c1-6(2)13-9(14)12(7(3)11-13)8-4-10-5-8/h6,8,10H,4-5H2,1-3H3
InChIKeyHUXGIWBDWVMVLK-UHFFFAOYSA-N
XLogP0.08
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-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-methyl-2-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one (CID 121208032) is 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one is Cc1nn(C(C)C)c(=O)n1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is HUXGIWBDWVMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)13-9(14)12(7(3)11-13)8-4-10-5-8/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one?
4-(azetidin-3-yl)-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 196.25 g/mol, XLogP of 0.08, 2 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-methyl-2-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 121208032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).