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

HCID 334646

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Basic information

CAS: 81215-75-0
Standard SMILES: O=C1CN(CCCO)CC(=O)N2Cc3ccccc3CN12
InChIKey: MCYMXYGMDVCKCF-UHFFFAOYSA-N
Molecular formula: C15H19N3O3
Average molar mass: 289.33 g/mol
Monoisotopic mass: 289.14264148

Names & identifiers

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

Names & synonyms

81215-75-03-(3-Hydroxypropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione3-(3-Hydroxypropyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC340351DW0Z3FV7XPNSC-3403513-(3-HYDROXYPROPYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONENSC 340351UNII-DW0Z3FV7XP3-(3-hydroxypropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dioneDTXSID70230953DS-013818

Show more names

1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3,4,7,12-TETRAHYDRO-3-(3-HYDROXYPROPYL)-3,4,7,12-TETRAHYDRO-3-(3-HYDROXYPROPYL)-1H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE

Database identifiers

CAS: 81215-75-0
PubChem CID: 334646
DTXSID: DTXSID70230953
UNII: DW0Z3FV7XP

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 64.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 381

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