Benzenamine, N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
Basic information
- CAS
87540-07-6- Standard SMILES
CN(C)c1ccc(-c2nnc3c4cccc(N5CCCC5)c4cnn23)cc1- InChIKey
DDFCZWZNRGKDFH-UHFFFAOYSA-N- Molecular formula
- C21H22N6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.19059473
Names & identifiers
- Preferred name
- Benzenamine, N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
- IUPAC
- N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
Names & synonyms
BRN 6439517Benzenamine, N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-87540-07-6DTXSID70236399N,N-Dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzenamineRefChem:322958DTXCID20158890N,N-Dimethyl-4-[7-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]aniline
Database identifiers
- CAS
87540-07-6- PubChem CID
- 55723
- DTXSID
DTXSID70236399
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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