2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid

C16H18N2O4 — CID 82445142

IUPAC2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
SMILESCCn1nc(-c2ccc(OC(C)C)cc2)cc(C(=O)O)c1=O
InChIInChI=1S/C16H18N2O4/c1-4-18-15(19)13(16(20)21)9-14(17-18)11-5-7-12(8-6-11)22-10(2)3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyTTXGONDNVNRBDN-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.42
Rot. Bonds5

About 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid

2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid (PubChem CID 82445142) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
PubChem CID82445142
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
SMILESCCn1nc(-c2ccc(OC(C)C)cc2)cc(C(=O)O)c1=O
InChIInChI=1S/C16H18N2O4/c1-4-18-15(19)13(16(20)21)9-14(17-18)11-5-7-12(8-6-11)22-10(2)3/h5-10H,4H2,1-3H3,(H,20,21)
InChIKeyTTXGONDNVNRBDN-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid (CID 82445142) is 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid is CCn1nc(-c2ccc(OC(C)C)cc2)cc(C(=O)O)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
The InChIKey is TTXGONDNVNRBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-18-15(19)13(16(20)21)9-14(17-18)11-5-7-12(8-6-11)22-10(2)3/h5-10H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid?
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 82445142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).