4-oxo-1,5-dipentylpyridazine-3-carboxylic acid

C15H24N2O3 — CID 70483248

IUPAC4-oxo-1,5-dipentylpyridazine-3-carboxylic acid
SMILESCCCCCc1cn(CCCCC)nc(C(=O)O)c1=O
InChIInChI=1S/C15H24N2O3/c1-3-5-7-9-12-11-17(10-8-6-4-2)16-13(14(12)18)15(19)20/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyMZYNUONLQPHNNO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds9

About 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid

4-oxo-1,5-dipentylpyridazine-3-carboxylic acid (PubChem CID 70483248) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,5-dipentylpyridazine-3-carboxylic acid
PubChem CID70483248
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-oxo-1,5-dipentylpyridazine-3-carboxylic acid
SMILESCCCCCc1cn(CCCCC)nc(C(=O)O)c1=O
InChIInChI=1S/C15H24N2O3/c1-3-5-7-9-12-11-17(10-8-6-4-2)16-13(14(12)18)15(19)20/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyMZYNUONLQPHNNO-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
3-methyl-1-octylpyrazole-4-carboxylic acid
CID 14277915
1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid
CID 12624222
4-iodo-1-propylpyrazole-3-carboxylic acid
CID 122170832
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid
CID 107344234
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
5-oxo-2-pentylpyridazine-4-carboxylic acid
CID 67928483
1-ethyl-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 156756923
5-butyl-1-pentyltriazole-4-carboxylic acid
CID 82205585

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid?
The IUPAC name of 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid (CID 70483248) is 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid is CCCCCc1cn(CCCCC)nc(C(=O)O)c1=O.
What is the InChIKey of 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid?
The InChIKey is MZYNUONLQPHNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-7-9-12-11-17(10-8-6-4-2)16-13(14(12)18)15(19)20/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid?
4-oxo-1,5-dipentylpyridazine-3-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,5-dipentylpyridazine-3-carboxylic acid is sourced from PubChem (CID 70483248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).