4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid

C18H22N2O2 — CID 68915333

IUPAC4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid
SMILESCC(C)Cc1cc(-c2ccccc2C(C)C)nnc1C(=O)O
InChIInChI=1S/C18H22N2O2/c1-11(2)9-13-10-16(19-20-17(13)18(21)22)15-8-6-5-7-14(15)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,21,22)
InChIKeyFKUIRCHPEDHART-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.16
Rot. Bonds5

About 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid

4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid (PubChem CID 68915333) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid
PubChem CID68915333
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid
SMILESCC(C)Cc1cc(-c2ccccc2C(C)C)nnc1C(=O)O
InChIInChI=1S/C18H22N2O2/c1-11(2)9-13-10-16(19-20-17(13)18(21)22)15-8-6-5-7-14(15)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,21,22)
InChIKeyFKUIRCHPEDHART-UHFFFAOYSA-N
XLogP4.16
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid (CID 68915333) is 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid is CC(C)Cc1cc(-c2ccccc2C(C)C)nnc1C(=O)O.
What is the InChIKey of 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid?
The InChIKey is FKUIRCHPEDHART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)9-13-10-16(19-20-17(13)18(21)22)15-8-6-5-7-14(15)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,21,22).
What are the key properties of 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid?
4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-6-(2-propan-2-ylphenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 68915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).