1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-

HCID 97338

Notes Reactions

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Basic information

CAS: 21517-01-1
Standard SMILES: c1ccc(-c2nn3cnnc3c3ccccc23)cc1
InChIKey: PXRWSPIIXAXJKZ-UHFFFAOYSA-N
Molecular formula: C15H10N4
Average molar mass: 246.27 g/mol
Monoisotopic mass: 246.09054634

Names & identifiers

Preferred name: 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
IUPAC: 6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine

Names & synonyms

21517-01-11,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-6-Phenyl-1,2,4-triazolo(3,4-a)phthalazineBRN 0532944DTXSID50175853NSC 1163436-phenyl-1,2,4-triazolo[3,4-a]phthalazineRefChem:215163DTXCID00983446-phenyl-[1,2,4]triazolo[3,4-a]phthalazine6-phenyl[1,2,4]triazolo[3,4-a]phthalazineNSC116343

Show more names

MLS001018761CHEMBL1701750SCHEMBL10662541PXRWSPIIXAXJKZ-UHFFFAOYSA-NHMS1769L02HMS2689F09AKOS001063238NSC-116343

Database identifiers

CAS: 21517-01-1
PubChem CID: 97338
DTXSID: DTXSID50175853
ChEMBL: CHEMBL1701750
Nikkaji: J405.632I

Properties

Computed structural properties

XLogP: 2.7
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

Experimental & physicochemical properties

Solubility1 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

1 records

New reaction record

HRID 2232227As productuspto-grants-1988_11

Compound notes

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