2,6,7-trimethylphthalazin-1-one

C11H12N2O — CID 10899398

IUPAC2,6,7-trimethylphthalazin-1-one
SMILESCc1cc2cnn(C)c(=O)c2cc1C
InChIInChI=1S/C11H12N2O/c1-7-4-9-6-12-13(3)11(14)10(9)5-8(7)2/h4-6H,1-3H3
InChIKeyKRXUJQKWAPSYJW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds

About 2,6,7-trimethylphthalazin-1-one

2,6,7-trimethylphthalazin-1-one (PubChem CID 10899398) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,6,7-trimethylphthalazin-1-one.

Molecular Properties

Compound Name2,6,7-trimethylphthalazin-1-one
PubChem CID10899398
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,6,7-trimethylphthalazin-1-one
SMILESCc1cc2cnn(C)c(=O)c2cc1C
InChIInChI=1S/C11H12N2O/c1-7-4-9-6-12-13(3)11(14)10(9)5-8(7)2/h4-6H,1-3H3
InChIKeyKRXUJQKWAPSYJW-UHFFFAOYSA-N
XLogP1.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6H-pyrido[3,4-d]pyridazine-1,7-dione
CID 170776049
7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one
CID 175748862
6-bromo-2-methylphthalazin-1-one
CID 71562940
7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one
CID 175748897
2-hydrazinyl-1,5-dimethylimidazo[4,5-d]pyridazin-4-one
CID 13211291
6-ethyl-1,5-dimethylindazole
CID 176934565
2,5-dimethyl-3-oxopyridazine-4-carbonitrile
CID 14223001
5-chloro-1,6-dimethylindazole
CID 84657674
1,5-dimethylindazol-6-ol
CID 137082746
3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 135502832
4,5-bis(2,5-dimethylthiophen-3-yl)-2-methylpyridazin-3-one
CID 132969782
2-ethyl-6,7-dimethoxyphthalazin-1-one
CID 125457648

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethylphthalazin-1-one?
The IUPAC name of 2,6,7-trimethylphthalazin-1-one (CID 10899398) is 2,6,7-trimethylphthalazin-1-one.
What is the SMILES notation for 2,6,7-trimethylphthalazin-1-one?
The canonical SMILES for 2,6,7-trimethylphthalazin-1-one is Cc1cc2cnn(C)c(=O)c2cc1C.
What is the InChIKey of 2,6,7-trimethylphthalazin-1-one?
The InChIKey is KRXUJQKWAPSYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-4-9-6-12-13(3)11(14)10(9)5-8(7)2/h4-6H,1-3H3.
What are the key properties of 2,6,7-trimethylphthalazin-1-one?
2,6,7-trimethylphthalazin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethylphthalazin-1-one is sourced from PubChem (CID 10899398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).