1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-(1-methylethyl)-3-phenyl-
Basic information
- CAS
87539-92-2- Standard SMILES
CC(C)Nc1nn2c(-c3ccccc3)nnc2c2ccccc12- InChIKey
NOGHTYRGACUGMV-UHFFFAOYSA-N- Molecular formula
- C18H17N5
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.14839556
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-(1-methylethyl)-3-phenyl-
- IUPAC
- 3-phenyl-N-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Names & synonyms
BRN 64275171,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-(1-methylethyl)-3-phenyl-87539-92-2N-(1-Methylethyl)-3-phenyl-1,2,4-triazolo(3,4-a)phthalazin-6-amineDTXSID40236386RefChem:215117DTXCID40158877CHEMBL138983-Phenyl-N-(propan-2-yl)[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Database identifiers
- CAS
87539-92-2- PubChem CID
- 3071191
- DTXSID
DTXSID40236386- ChEMBL
CHEMBL13898
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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