7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid

C10H8N2O3 — CID 156651039

IUPAC7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
SMILESCc1ccc2c(=O)[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C10H8N2O3/c1-5-2-3-6-7(4-5)8(10(14)15)11-12-9(6)13/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyOJOMSUJCGIJOEU-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.93
Rot. Bonds1

About 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid

7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid (PubChem CID 156651039) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
PubChem CID156651039
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
SMILESCc1ccc2c(=O)[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C10H8N2O3/c1-5-2-3-6-7(4-5)8(10(14)15)11-12-9(6)13/h2-4H,1H3,(H,12,13)(H,14,15)
InChIKeyOJOMSUJCGIJOEU-UHFFFAOYSA-N
XLogP0.93
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-7-methyl-2H-phthalazin-1-one
CID 156651115
4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82474333
N-[1-(2,5-dimethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 42907042
4-hydroxy-7-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 54703481
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176920
4-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2496789
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate
CID 130405833
4-acetyl-6,7-difluoro-2H-phthalazin-1-one
CID 169279036
4-(2-methoxy-4-methylphenyl)-7-methyl-2H-phthalazin-1-one
CID 166151476
6-methylsulfonyl-1H-indazole-3-carboxylic acid
CID 170653132
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid?
The IUPAC name of 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid (CID 156651039) is 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid.
What is the SMILES notation for 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid?
The canonical SMILES for 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid is Cc1ccc2c(=O)[nH]nc(C(=O)O)c2c1.
What is the InChIKey of 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid?
The InChIKey is OJOMSUJCGIJOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-5-2-3-6-7(4-5)8(10(14)15)11-12-9(6)13/h2-4H,1H3,(H,12,13)(H,14,15).
What are the key properties of 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid?
7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid is sourced from PubChem (CID 156651039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).