2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one

C8H14N4O — CID 107391388

IUPAC2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CCC2CNC2)c1=O
InChIInChI=1S/C8H14N4O/c1-11-6-10-12(8(11)13)3-2-7-4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyLFGNCIBOUDKLOT-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.81
Rot. Bonds3

About 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one

2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one (PubChem CID 107391388) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one
PubChem CID107391388
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CCC2CNC2)c1=O
InChIInChI=1S/C8H14N4O/c1-11-6-10-12(8(11)13)3-2-7-4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyLFGNCIBOUDKLOT-UHFFFAOYSA-N
XLogP-0.81
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(azetidin-3-yl)ethyl]-4-methyl-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

Related Compounds

2-(3-Amino-2-methylpropyl)-4-methyl-1,2,4-triazol-3-one
CID 81946318
4-Methyl-2-[3-(2-methylpropylamino)propyl]-1,2,4-triazol-3-one
CID 81947189
4-Methyl-2-(pyrrolidin-3-ylmethyl)-1,2,4-triazol-3-one
CID 81947854
4-Methyl-2-[3-methyl-2-(methylamino)butyl]-1,2,4-triazol-3-one
CID 81948128
2-[3-(Ethylamino)-2-methylpropyl]-4-methyl-1,2,4-triazol-3-one
CID 81948211
4-Methyl-2-[2-methyl-3-(methylamino)propyl]-1,2,4-triazol-3-one
CID 81948272
4-Methyl-2-[2-methyl-3-(propylamino)propyl]-1,2,4-triazol-3-one
CID 81948301
4-Methyl-2-[4-(propylamino)butyl]-1,2,4-triazol-3-one
CID 81948756
4-Methyl-2-[2-(3-methylbutylamino)ethyl]-1,2,4-triazol-3-one
CID 81948878
2-[4-(Ethylamino)butyl]-4-methyl-1,2,4-triazol-3-one
CID 81949060
4-Methyl-2-[4-(2-methylpropylamino)butyl]-1,2,4-triazol-3-one
CID 81949061
4-Methyl-2-[4-(methylamino)butyl]-1,2,4-triazol-3-one
CID 81950655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one (CID 107391388) is 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one is Cn1cnn(CCC2CNC2)c1=O.
What is the InChIKey of 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one?
The InChIKey is LFGNCIBOUDKLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-6-10-12(8(11)13)3-2-7-4-9-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one?
2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one has a molecular weight of 182.23 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)ethyl]-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 107391388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).