3-Isobutyl-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione

HCID 334643

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Basic information

CAS: 81215-71-6
Standard SMILES: CC(C)CN1CC(=O)N2Cc3ccccc3CN2C(=O)C1
InChIKey: HUQPVVTXTXEMPF-UHFFFAOYSA-N
Molecular formula: C16H21N3O2
Average molar mass: 287.36 g/mol
Monoisotopic mass: 287.16337692

Names & identifiers

Preferred name: 3-Isobutyl-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
IUPAC: 3-(2-methylpropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione

Names & synonyms

81215-71-63-Isobutyl-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneNSC340347HY28JR0QYN3-Isobutyl-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC-3403473-ISOBUTYL-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONENSC 340347UNII-HY28JR0QYNDTXSID80230949DS-0142523-isobutyl-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione

Show more names

1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(2-METHYLPROPYL)-3-(2-Methylpropyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione

Database identifiers

CAS: 81215-71-6
PubChem CID: 334643
DTXSID: DTXSID80230949
UNII: HY28JR0QYN

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 43.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 390

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