1-oxo-3,4-dihydrophthalazine-2-carboxylic acid

C9H8N2O3 — CID 175924875

IUPAC1-oxo-3,4-dihydrophthalazine-2-carboxylic acid
SMILESO=C(O)N1NCc2ccccc2C1=O
InChIInChI=1S/C9H8N2O3/c12-8-7-4-2-1-3-6(7)5-10-11(8)9(13)14/h1-4,10H,5H2,(H,13,14)
InChIKeyGVMIDJOLVVSUIO-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.82
Rot. Bonds

About 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid

1-oxo-3,4-dihydrophthalazine-2-carboxylic acid (PubChem CID 175924875) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid.

Molecular Properties

Compound Name1-oxo-3,4-dihydrophthalazine-2-carboxylic acid
PubChem CID175924875
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name1-oxo-3,4-dihydrophthalazine-2-carboxylic acid
SMILESO=C(O)N1NCc2ccccc2C1=O
InChIInChI=1S/C9H8N2O3/c12-8-7-4-2-1-3-6(7)5-10-11(8)9(13)14/h1-4,10H,5H2,(H,13,14)
InChIKeyGVMIDJOLVVSUIO-UHFFFAOYSA-N
XLogP0.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3-dihydroisoindol-1-one;methane
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Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid?
The IUPAC name of 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid (CID 175924875) is 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid.
What is the SMILES notation for 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid?
The canonical SMILES for 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid is O=C(O)N1NCc2ccccc2C1=O.
What is the InChIKey of 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid?
The InChIKey is GVMIDJOLVVSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8-7-4-2-1-3-6(7)5-10-11(8)9(13)14/h1-4,10H,5H2,(H,13,14).
What are the key properties of 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid?
1-oxo-3,4-dihydrophthalazine-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,4-dihydrophthalazine-2-carboxylic acid is sourced from PubChem (CID 175924875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).