5-Amino-1-(4-anisyl)tetrazole

HCID 283418

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 39889-78-6
Standard SMILES: COc1ccc(-n2nnnc2N)cc1
InChIKey: MLSCXHMPIIXGCE-UHFFFAOYSA-N
Molecular formula: C8H9N5O
Average molar mass: 191.19 g/mol
Monoisotopic mass: 191.08070993

Names & identifiers

Preferred name: 5-Amino-1-(4-anisyl)tetrazole
IUPAC: 1-(4-methoxyphenyl)tetrazol-5-amine

Names & synonyms

5-Amino-1-(4-anisyl)tetrazoleNSC13801539889-78-6SCHEMBL28188342DTXSID70879427AKOS004123335NSC-1380151-(4-methoxyphenyl)-1 h -tetrazol-5-amine1H-Tetrazol-5-amine, 1-(4-methoxyphenyl)-5-AMINO-1-(P-METHOXYPHENYL)TETRAZOLE1-(4-Methoxyphenyl)-1,2-dihydro-5H-tetrazol-5-imine

Database identifiers

CAS: 39889-78-6
PubChem CID: 283418
DTXSID: DTXSID70879427

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 183

Experimental & physicochemical properties

LogP0.85

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…