2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid

C8H10N2O3 — CID 82442174

IUPAC2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid
SMILESCCn1nc(CC(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-2-10-7(11)4-3-6(9-10)5-8(12)13/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyWSUMXRSDZNZDJY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid

2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid (PubChem CID 82442174) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid
PubChem CID82442174
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid
SMILESCCn1nc(CC(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-2-10-7(11)4-3-6(9-10)5-8(12)13/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyWSUMXRSDZNZDJY-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
2-(1-ethylsulfonylpyrazol-3-yl)acetic acid
CID 71285851
2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
CID 82105419
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride
CID 82442315
2-(5-bromo-1-propylpyrazol-3-yl)acetic acid
CID 115046013
6-(4-aminophenyl)-2-ethylpyridazin-3-one
CID 82105433
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid (CID 82442174) is 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid is CCn1nc(CC(=O)O)ccc1=O.
What is the InChIKey of 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid?
The InChIKey is WSUMXRSDZNZDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-10-7(11)4-3-6(9-10)5-8(12)13/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid?
2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-oxopyridazin-3-yl)acetic acid is sourced from PubChem (CID 82442174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).