5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid

C12H12N2O4 — CID 62923188

IUPAC5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1ccc(=O)n(Cc2cc(C(=O)O)oc2C)n1
InChIInChI=1S/C12H12N2O4/c1-7-3-4-11(15)14(13-7)6-9-5-10(12(16)17)18-8(9)2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyIPJIRJSPYPHTOO-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.20
Rot. Bonds3

About 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid

5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 62923188) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID62923188
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1ccc(=O)n(Cc2cc(C(=O)O)oc2C)n1
InChIInChI=1S/C12H12N2O4/c1-7-3-4-11(15)14(13-7)6-9-5-10(12(16)17)18-8(9)2/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyIPJIRJSPYPHTOO-UHFFFAOYSA-N
XLogP1.20
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[(6-oxopyrimidin-1-yl)methyl]furan-2-carboxylic acid
CID 63770228
4-[(4,5-dimethylimidazol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62350360
2-[(5-amino-2-chlorophenyl)methyl]-6-methylpyridazin-3-one
CID 62922692
3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
CID 63581869
5-methyl-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]furan-2-carboxylic acid
CID 62273798
4-[2-[(5-carboxy-2-methylfuran-3-yl)methylsulfanyl]ethylsulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 21231587
2-[(4-amino-2-pyridinyl)methyl]-6-methylpyridazin-3-one
CID 79251475
2-[(2-amino-4-fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 64768629
2-[(2-amino-4-bromophenyl)methyl]-6-methylpyridazin-3-one
CID 114380575
5-methyl-4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 79936676
5-methyl-4-[(3-oxomorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 79468797
6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
CID 78949436

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid (CID 62923188) is 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid is Cc1ccc(=O)n(Cc2cc(C(=O)O)oc2C)n1.
What is the InChIKey of 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is IPJIRJSPYPHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-3-4-11(15)14(13-7)6-9-5-10(12(16)17)18-8(9)2/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid?
5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62923188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).