6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid

C8H8N2O3 — CID 130170703

IUPAC6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
SMILESC=CCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C8H8N2O3/c1-2-5-10-7(11)4-3-6(9-10)8(12)13/h2-4H,1,5H2,(H,12,13)
InChIKeyJVCHOEQBTLXIRH-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.13
Rot. Bonds3

About 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid

6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid (PubChem CID 130170703) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
PubChem CID130170703
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
SMILESC=CCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C8H8N2O3/c1-2-5-10-7(11)4-3-6(9-10)8(12)13/h2-4H,1,5H2,(H,12,13)
InChIKeyJVCHOEQBTLXIRH-UHFFFAOYSA-N
XLogP0.13
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-6-oxopyridazine-3-carboxylic acid
CID 114696003
1-hept-6-enyl-6-oxopyridazine-3-carboxylic acid
CID 107007570
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-oxopyridazine-3-carboxylic acid
CID 106438934
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
6-oxo-1-(3,3,3-trifluoropropyl)pyridazine-3-carboxylic acid
CID 114695937
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114695973
6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid
CID 114695804
1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114695976
1-but-3-en-2-yl-6-oxopyridazine-3-carboxylic acid
CID 114695954
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
5-(5-chlorothiophen-2-yl)-1-prop-2-enylpyrazole-3-carboxylic acid
CID 82305239
1-bromo-6-oxopyridazine-3-carboxylic acid
CID 150434130

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid (CID 130170703) is 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid is C=CCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid?
The InChIKey is JVCHOEQBTLXIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-2-5-10-7(11)4-3-6(9-10)8(12)13/h2-4H,1,5H2,(H,12,13).
What are the key properties of 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid?
6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid is sourced from PubChem (CID 130170703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).