Benzenamine, 3-chloro-N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
Basic information
- CAS
87540-10-1- Standard SMILES
CN(C)c1ccc(-c2nnc3c4cccc(N5CCCC5)c4cnn23)c(Cl)c1- InChIKey
RLDCVAHCHUYDOF-UHFFFAOYSA-N- Molecular formula
- C21H21ClN6
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1516224
Names & identifiers
- Preferred name
- Benzenamine, 3-chloro-N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
- IUPAC
- 3-chloro-N,N-dimethyl-4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
Names & synonyms
BRN 6443964Benzenamine, 3-chloro-N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-87540-10-1DTXSID402364023-Chloro-N,N-dimethyl-4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzenamineRefChem:322822DTXCID001588933-chloro-N,N-dimethyl-4-[7-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]aniline
Database identifiers
- CAS
87540-10-1- PubChem CID
- 55724
- DTXSID
DTXSID40236402
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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