5-Phenyl-[1,2,4]triazolo[4,3-c]quinazoline

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Basic information

CAS: 6506-59-8
Standard SMILES: c1ccc(-c2nc3ccccc3c3nncn23)cc1
InChIKey: JXNCKUNFELPBJQ-UHFFFAOYSA-N
Molecular formula: C15H10N4
Average molar mass: 246.27 g/mol
Monoisotopic mass: 246.09054634

Names & identifiers

Preferred name: 5-Phenyl-[1,2,4]triazolo[4,3-c]quinazoline
IUPAC: 5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline

Names & synonyms

5-Phenyl-[1,2,4]triazolo[4,3-c]quinazolineMLS0000342486506-59-81,2,4-Triazolo[4,3-c]quinazoline, 5-phenyl-SMR0000132865-phenyl[1,2,4]triazolo[4,3-c]quinazolinecid_645307CHEMBL1607126BDBM48904DTXSID60349407AKOS000542714AE-477/13519250

Show more names

SR-01000313687SR-01000313687-1

Database identifiers

CAS: 6506-59-8
PubChem CID: 645307
DTXSID: DTXSID60349407
ChEMBL: CHEMBL1607126

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 315

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Compound notes

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