4-methyl-8aH-phthalazin-1-one

C9H8N2O — CID 57273587

IUPAC4-methyl-8aH-phthalazin-1-one
SMILESCC1=C2C=CC=CC2C(=O)N=N1
InChIInChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5,8H,1H3
InChIKeyAGEWKIYHGMGPMF-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.00
Rot. Bonds

About 4-methyl-8aH-phthalazin-1-one

4-methyl-8aH-phthalazin-1-one (PubChem CID 57273587) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-methyl-8aH-phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-8aH-phthalazin-1-one
PubChem CID57273587
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-methyl-8aH-phthalazin-1-one
SMILESCC1=C2C=CC=CC2C(=O)N=N1
InChIInChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5,8H,1H3
InChIKeyAGEWKIYHGMGPMF-UHFFFAOYSA-N
XLogP2.00
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-8aH-phthalazin-1-one
CID 138059284
4-thiophen-2-yl-8aH-phthalazin-1-one
CID 78203934
4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one
CID 138058760
N-[2-[(4-oxo-4aH-phthalazin-1-yl)methylamino]ethyl]acetamide
CID 90774787
N-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]-4-oxo-4aH-phthalazine-1-carboxamide
CID 156907141
ethyl 4-hydroxy-1-oxo-8aH-isoquinoline-3-carboxylate
CID 71650539
3-[4-(3-oxo-3aH-2-benzofuran-1-yl)phenyl]-7aH-2-benzofuran-1-one
CID 141369009
3-sulfanyl-7aH-2-benzofuran-1-one
CID 141079473
4-chloro-8aH-naphthalen-1-one
CID 91543564
3-chloro-7aH-2-benzofuran-1-one
CID 141049124
9-methyl-8a,9a-dihydrocarbazole
CID 121338970
3-(dimethylamino)-8aH-isoquinolin-1-one
CID 85436883

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8aH-phthalazin-1-one?
The IUPAC name of 4-methyl-8aH-phthalazin-1-one (CID 57273587) is 4-methyl-8aH-phthalazin-1-one.
What is the SMILES notation for 4-methyl-8aH-phthalazin-1-one?
The canonical SMILES for 4-methyl-8aH-phthalazin-1-one is CC1=C2C=CC=CC2C(=O)N=N1.
What is the InChIKey of 4-methyl-8aH-phthalazin-1-one?
The InChIKey is AGEWKIYHGMGPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5,8H,1H3.
What are the key properties of 4-methyl-8aH-phthalazin-1-one?
4-methyl-8aH-phthalazin-1-one has a molecular weight of 160.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8aH-phthalazin-1-one is sourced from PubChem (CID 57273587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).