4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C14H14N2O — CID 6459639

IUPAC4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17)
InChIKeyHGXKVNRBKJMVLX-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds1

About 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 6459639) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID6459639
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17)
InChIKeyHGXKVNRBKJMVLX-UHFFFAOYSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
1-Hydroxy-4-methylphthalazine
CID 21103
4-Benzyl-1(2H)-phthalazinone
CID 616651
4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
CID 95757
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
Benzo(h)cinnolin-3(2H)-one, 5,6-dihydro-
CID 213230
3-Phenyl-6-pyridazone
CID 75106
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
3-Phenyl-5-pyrazolone
CID 78577
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
5,5-Dimethyl-2,6-dihydropyrazolo[4,3-d][3]benzazepin-3-one
CID 614841

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 6459639) is 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is O=c1[nH]nc(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is HGXKVNRBKJMVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17).
What are the key properties of 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 6459639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).