1-Tetrazol-2-ylethanone

HCID 536643

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Basic information

CAS: 51410-11-8
Standard SMILES: CC(=O)n1ncnn1
InChIKey: KSGXBLJZEZISTI-UHFFFAOYSA-N
Molecular formula: C3H4N4O
Average molar mass: 112.09 g/mol
Monoisotopic mass: 112.03851076

Overview

1-Tetrazol-2-ylethanone is a member of tetrazoles.

Names & identifiers

Preferred name: 1-Tetrazol-2-ylethanone
IUPAC: 1-(tetrazol-2-yl)ethanone

Names & synonyms

1-Tetrazol-2-ylethanone1-(tetrazol-2-yl)ethanone51410-11-82H-Tetrazole, 2-acetyl-2-Acetyl-2H-tetraazole #SCHEMBL1081171DTXSID80336834CHEBI:229269KSGXBLJZEZISTI-UHFFFAOYSA-N1-(2H-Tetrazol-2-yl)ethan-1-one

Database identifiers

CAS: 51410-11-8
PubChem CID: 536643
DTXSID: DTXSID80336834
ChEBI: CHEBI:229269
Nikkaji: J1.510.377I

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 103

Related reactions

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Compound notes

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