Acetamide, N-(4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl)-
Basic information
- CAS
87540-06-5- Standard SMILES
CC(=O)Nc1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)cc1- InChIKey
WIBMHODPGXACRA-UHFFFAOYSA-N- Molecular formula
- C21H20N6O
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.16985928
Names & identifiers
- Preferred name
- Acetamide, N-(4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl)-
- IUPAC
- N-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
Names & synonyms
BRN 6443775Acetamide, N-(4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl)-87540-06-5N-(4-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)phenyl)acetamideDTXSID10236398RefChem:315333DTXCID10158889CHEMBL14234SCHEMBL10665604N-{4-[6-(Pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]phenyl}acetamide
Database identifiers
- CAS
87540-06-5- PubChem CID
- 3071202
- DTXSID
DTXSID10236398- ChEMBL
CHEMBL14234
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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