3-(2-Chloroethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
Basic information
- CAS
81215-84-1- Standard SMILES
O=C1CN(CCCl)CC(=O)N2Cc3ccccc3CN12- InChIKey
QWQJKHGWCZOAPU-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O2
- Average molar mass
- 293.75 g/mol
- Monoisotopic mass
- 293.0931045
Names & identifiers
- Preferred name
- 3-(2-Chloroethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
- IUPAC
- 3-(2-chloroethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Names & synonyms
81215-84-1LW5SF6D34J3-(2-Chloroethyl)-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dioneNSC340352UNII-LW5SF6D34JNSC 340352NSC-3403523-(2-Chloroethyl)-3,4,7,12-tetrahydro-1H-[1,2,5]triazepino[1,2-b]phthalazine-1,5(2H)-dione3-(2-chloroethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dioneDTXSID302309591H-(1,2,5)TRIAZEPINO(1,2-B)PHTHALAZINE-1,5(2H)-DIONE, 3-(2-CHLOROETHYL)-3,4,7,12-TETRAHYDRO-
Database identifiers
- CAS
81215-84-1- PubChem CID
- 334647
- DTXSID
DTXSID30230959- UNII
- LW5SF6D34J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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