Basic information
- CAS
87540-05-4- Standard SMILES
N#Cc1ccc(-c2nnc3c4cccc(N5CCCC5)c4cnn23)cc1- InChIKey
USXONRHOMIBRPS-UHFFFAOYSA-N- Molecular formula
- C20H16N6
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14364454
Names & identifiers
- Preferred name
- Benzonitrile, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
- IUPAC
- 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile
Names & synonyms
BRN 6439699BENZONITRILE, 4-(6-(1-PYRROLIDINYL)-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-3-YL)-87540-05-4DTXSID502363974-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzonitrileRefChem:328069DTXCID501588884-[7-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]benzonitrile
Database identifiers
- CAS
87540-05-4- PubChem CID
- 55722
- DTXSID
DTXSID50236397
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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