2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid

C11H14N2O4 — CID 117127697

IUPAC2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
SMILESCn1ncc(CC2CCCO2)c(C(=O)O)c1=O
InChIInChI=1S/C11H14N2O4/c1-13-10(14)9(11(15)16)7(6-12-13)5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyYDYBPABBVJSHLJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.20
Rot. Bonds3

About 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid

2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid (PubChem CID 117127697) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
PubChem CID117127697
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid
SMILESCn1ncc(CC2CCCO2)c(C(=O)O)c1=O
InChIInChI=1S/C11H14N2O4/c1-13-10(14)9(11(15)16)7(6-12-13)5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyYDYBPABBVJSHLJ-UHFFFAOYSA-N
XLogP0.20
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
CID 65163089
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 91831331
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965269
[(2R)-oxolan-2-yl]methyl 2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxylate
CID 42352991
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95569339
3-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid (CID 117127697) is 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid is Cn1ncc(CC2CCCO2)c(C(=O)O)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid?
The InChIKey is YDYBPABBVJSHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-13-10(14)9(11(15)16)7(6-12-13)5-8-3-2-4-17-8/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid?
2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5-(oxolan-2-ylmethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).