3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid

C8H10N2O3 — CID 97181358

IUPAC3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)n1nccc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-5(2)10-7(11)6(8(12)13)3-4-9-10/h3-5H,1-2H3,(H,12,13)
InChIKeyUMJMHWWMNHBKEZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.52
Rot. Bonds2

About 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid

3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid (PubChem CID 97181358) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
PubChem CID97181358
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)n1nccc(C(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-5(2)10-7(11)6(8(12)13)3-4-9-10/h3-5H,1-2H3,(H,12,13)
InChIKeyUMJMHWWMNHBKEZ-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid (CID 97181358) is 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid is CC(C)n1nccc(C(=O)O)c1=O.
What is the InChIKey of 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
The InChIKey is UMJMHWWMNHBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(2)10-7(11)6(8(12)13)3-4-9-10/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid?
3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propan-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 97181358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).