1-ethyl-6-oxopyridazine-4-carboxylic acid

C7H8N2O3 — CID 84652941

IUPAC1-ethyl-6-oxopyridazine-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)cc1=O
InChIInChI=1S/C7H8N2O3/c1-2-9-6(10)3-5(4-8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyWHBUOFXBIUVEHR-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.04
Rot. Bonds2

About 1-ethyl-6-oxopyridazine-4-carboxylic acid

1-ethyl-6-oxopyridazine-4-carboxylic acid (PubChem CID 84652941) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-ethyl-6-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-oxopyridazine-4-carboxylic acid
PubChem CID84652941
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-ethyl-6-oxopyridazine-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)cc1=O
InChIInChI=1S/C7H8N2O3/c1-2-9-6(10)3-5(4-8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyWHBUOFXBIUVEHR-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-6-oxo-1,6-dihydropyridazine-4-carboxylic acid
CID 66617048
Methyl 1-ethyl-6-oxopyridazine-4-carboxylate
CID 155228048
(E)-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 62848893
2-[(6-Oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 64116288
4-(6-Oxopyridazin-1-yl)but-2-enoic acid
CID 76950739
3-Methyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 76975077
2-Methyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 77076172
2-Ethyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 77102290
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
6-Oxo-1-propylpyridazine-4-carboxylic acid
CID 84658338
6-Oxo-1-propan-2-ylpyridazine-4-carboxylic acid
CID 84658339
1-Tert-butyl-6-oxopyridazine-4-carboxylic acid
CID 84666779

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxopyridazine-4-carboxylic acid?
The IUPAC name of 1-ethyl-6-oxopyridazine-4-carboxylic acid (CID 84652941) is 1-ethyl-6-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-6-oxopyridazine-4-carboxylic acid is CCn1ncc(C(=O)O)cc1=O.
What is the InChIKey of 1-ethyl-6-oxopyridazine-4-carboxylic acid?
The InChIKey is WHBUOFXBIUVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-9-6(10)3-5(4-8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-6-oxopyridazine-4-carboxylic acid?
1-ethyl-6-oxopyridazine-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 84652941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).