3-methyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
Basic information
- CAS
878914-90-0- Standard SMILES
Cn1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O- InChIKey
RTIQTOUFLISMMI-UHFFFAOYSA-N- Molecular formula
- C17H13N7O2
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.11307268
Names & identifiers
- Preferred name
- 3-methyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
- IUPAC
- 3-methyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
Names & synonyms
MLS002251750SMR0013141313-methyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamideCHEMBL1732743BDBM83166cid_9502432DTXSID501331798HMS3090M12AKOS033967922878914-90-0AB00749342-013-methyl-4-oxo-N-[4-(1-tetrazolyl)phenyl]-1-phthalazinecarboxamide
Show more names
4-keto-3-methyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide3-methyl-4-oxidanylidene-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]phthalazine-1-carboxamide3-Methyl-4-oxo-N-[4-(1H-tetrazol-1-yl)phenyl]-3,4-dihydrophthalazine-1-carboxamide
Database identifiers
- CAS
878914-90-0- PubChem CID
- 9502432
- DTXSID
DTXSID501331798- ChEMBL
CHEMBL1732743
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 588
Experimental & physicochemical properties
Solubility6.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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