3-(3-Chloropropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
Basic information
- CAS
81215-85-2- Standard SMILES
O=C1CN(CCCCl)CC(=O)N2Cc3ccccc3CN12- InChIKey
JUOUXEPGXSRRHQ-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O2
- Average molar mass
- 307.77 g/mol
- Monoisotopic mass
- 307.1087545
Names & identifiers
- Preferred name
- 3-(3-Chloropropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-(3-chloropropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-85-23-(3-Chloropropyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione3-(3-Chloropropyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dioneNSC340353NSC 340353NSC-3403533-(3-CHLOROPROPYL)-3,4,7,12-TETRAHYDRO-1H-(1,2,5)TRIAZEPINO[1,2-B]PHTHALAZINE-1,5(2H)-DIONE3-(3-chloropropyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione5LSK672B2UDTXSID40230960DS-0045491H-[1,2,5]Triazepino[1,2-b]phthalazine-1,5(2H)-dione, 3-(3-chloropropyl)-3,4,7,12-tetrahydro-
Show more names
3-(3-CHLOROPROPYL)-1H,2H,3H,4H,5H,7H,12H-[1,2,5]TRIAZEPINO[1,2-B]PHTHALAZINE-1,5-DIONE
Database identifiers
- CAS
81215-85-2- PubChem CID
- 334648
- DTXSID
DTXSID40230960- UNII
- 5LSK672B2U
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
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Compound notes
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