1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-
Basic information
- CAS
113628-72-1- Standard SMILES
COCCN(CCOC)c1nn2c(-c3ccc(N(C)C)cc3)nnc2c2ccccc12- InChIKey
YJLOVTRJTQFBEJ-UHFFFAOYSA-N- Molecular formula
- C23H28N6O2
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.22737416
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-
- IUPAC
- 3-[4-(dimethylamino)phenyl]-N,N-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Names & synonyms
BRN 64468061,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-113628-72-1N,N-Bis(2-methoxyethyl)-3-(4-(dimethylamino)phenyl)-1,2,4-triazolo(3,4-a)phthalazin-6-amineDTXSID90150503RefChem:215107DTXCID4072994CHEMBL2798393-[4-(Dimethylamino)phenyl]-N,N-bis(2-methoxyethyl)[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Database identifiers
- CAS
113628-72-1- PubChem CID
- 3087239
- DTXSID
DTXSID90150503- ChEMBL
CHEMBL279839
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 536
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Compound notes
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