2H-phthalazin-1-one

C8H6N2O — CID 8394

IUPAC2H-phthalazin-1-one
SMILESO=c1[nH]ncc2ccccc12
InChIInChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
InChIKeyIJAPPYDYQCXOEF-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.92
Rot. Bonds

About 2H-phthalazin-1-one

2H-phthalazin-1-one (PubChem CID 8394) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-phthalazin-1-one.

Molecular Properties

Compound Name2H-phthalazin-1-one
PubChem CID8394
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-phthalazin-1-one
SMILESO=c1[nH]ncc2ccccc12
InChIInChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
InChIKeyIJAPPYDYQCXOEF-UHFFFAOYSA-N
XLogP0.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-1-(2H)-phthalazinone
CID 219150
N'-[(E)-Phenylmethylidene]benzohydrazide
CID 9561277
1-Hydroxy-4-methylphthalazine
CID 21103
4-Benzyl-1(2H)-phthalazinone
CID 616651
2-Methylphthalazin-1-one
CID 313378
4-(aminomethyl)phthalazin-1(2H)-one
CID 816623
4-chlorophthalazin-1(2H)-one
CID 2775142
4-aminophthalazin-1(2H)-one
CID 595178
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
N'-benzylidene-1-naphthohydrazide
CID 9563333
4-((Dimethylamino)methyl)-1(2H)-phthalazinone
CID 1482313
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978

Frequently Asked Questions

What is the IUPAC name of 2H-phthalazin-1-one?
The IUPAC name of 2H-phthalazin-1-one (CID 8394) is 2H-phthalazin-1-one.
What is the SMILES notation for 2H-phthalazin-1-one?
The canonical SMILES for 2H-phthalazin-1-one is O=c1[nH]ncc2ccccc12.
What is the InChIKey of 2H-phthalazin-1-one?
The InChIKey is IJAPPYDYQCXOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11).
What are the key properties of 2H-phthalazin-1-one?
2H-phthalazin-1-one has a molecular weight of 146.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-phthalazin-1-one is sourced from PubChem (CID 8394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).