1-(azetidin-3-yl)-1H-1,2,3-triazole

HCID 19005993

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: c1cn(C2CNC2)nn1
InChIKey: NCACHQJLGMVJNS-UHFFFAOYSA-N
Molecular formula: C5H8N4
Average molar mass: 124.14 g/mol

Names & identifiers

Preferred name: 1-(azetidin-3-yl)-1H-1,2,3-triazole
IUPAC: 1-(azetidin-3-yl)triazole

Names & synonyms

1-(azetidin-3-yl)-1H-1,2,3-triazole692723-17-41-(azetidin-3-yl)triazoleF2167-1076SCHEMBL9551473CHEMBL4514293SMSSF-0613801AKOS0253128031-(3-azetidinyl)-1H-1,2,3-triazoleDS-019898EN300-129857F8881-6745

Database identifiers

PubChem CID: 19005993
ChEMBL: CHEMBL4514293

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 42.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Related reactions

3 records

New reaction record

HRID 187358As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 192489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2130124As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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