1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde

C15H16N2O3 — CID 82420645

IUPAC1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
SMILESCCCCc1ccc(-n2nc(C=O)c(O)cc2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-2-3-4-11-5-7-12(8-6-11)17-15(20)9-14(19)13(10-18)16-17/h5-10,19H,2-4H2,1H3
InChIKeyIVHCLMVKSDNVFW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde

1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde (PubChem CID 82420645) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
PubChem CID82420645
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde
SMILESCCCCc1ccc(-n2nc(C=O)c(O)cc2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-2-3-4-11-5-7-12(8-6-11)17-15(20)9-14(19)13(10-18)16-17/h5-10,19H,2-4H2,1H3
InChIKeyIVHCLMVKSDNVFW-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbohydrazide
CID 82420653
1-(4-butylphenyl)-5-pentan-3-yltriazole-4-carbaldehyde
CID 82195927
1-(4-butylphenyl)pyrazole-4-carbaldehyde
CID 26183395
1-(4-butylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid
CID 43652668
1-(4-butylphenyl)-5-chloro-3-methylpyrazole-4-carboxylic acid
CID 82362409
5-(5-butyl-4-formyltriazol-1-yl)-2-hydroxybenzoic acid
CID 82199258
2-[1-(4-butylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetonitrile
CID 82420682
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360
1-butyl-4-methylbenzene;formic acid
CID 177221373
4-butyl-2-methylphenol
CID 10964856
ethane;4-pentylbenzaldehyde
CID 143882863
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
The IUPAC name of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde (CID 82420645) is 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde.
What is the SMILES notation for 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
The canonical SMILES for 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde is CCCCc1ccc(-n2nc(C=O)c(O)cc2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
The InChIKey is IVHCLMVKSDNVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-3-4-11-5-7-12(8-6-11)17-15(20)9-14(19)13(10-18)16-17/h5-10,19H,2-4H2,1H3.
What are the key properties of 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde?
1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-hydroxy-6-oxopyridazine-3-carbaldehyde is sourced from PubChem (CID 82420645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).