2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid

C10H12N2O5 — CID 77106170

IUPAC2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid
SMILESCc1cc(=O)n(C(CC(=O)O)C(=O)O)nc1C
InChIInChI=1S/C10H12N2O5/c1-5-3-8(13)12(11-6(5)2)7(10(16)17)4-9(14)15/h3,7H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKYAPUXKNKKHRJH-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.04
Rot. Bonds4

About 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid

2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid (PubChem CID 77106170) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid
PubChem CID77106170
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid
SMILESCc1cc(=O)n(C(CC(=O)O)C(=O)O)nc1C
InChIInChI=1S/C10H12N2O5/c1-5-3-8(13)12(11-6(5)2)7(10(16)17)4-9(14)15/h3,7H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKYAPUXKNKKHRJH-UHFFFAOYSA-N
XLogP-0.04
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanedioic acid
CID 744346
2-(4-iodo-3,5-dimethylpyrazol-1-yl)butanedioic acid
CID 616666
2-(6-oxo-3-phenylpyridazin-1-yl)butanedioic acid
CID 77106165
2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588053
(2S)-2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984601
2-chloro-5,6-dimethylpyridazin-3-one
CID 88774796
2-(3-methyl-6-oxopyridazin-1-yl)heptanoic acid
CID 121015695
2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
CID 82146642
(2S)-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 107427809
(2S)-2-(3-amino-5-methylpyrazol-1-yl)butanoic acid
CID 124709590
4-(4-methylphenyl)-4-oxo-2-(1,2,4-triazol-1-yl)butanoic acid
CID 6487046
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid?
The IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid (CID 77106170) is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid?
The canonical SMILES for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid is Cc1cc(=O)n(C(CC(=O)O)C(=O)O)nc1C.
What is the InChIKey of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid?
The InChIKey is KYAPUXKNKKHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-3-8(13)12(11-6(5)2)7(10(16)17)4-9(14)15/h3,7H,4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid?
2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid has a molecular weight of 240.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)butanedioic acid is sourced from PubChem (CID 77106170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).