5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid

C13H16N4O2 — CID 80517298

IUPAC5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid
SMILESCCc1nnc(-n2cc(C)cn2)c(C(=O)O)c1CC
InChIInChI=1S/C13H16N4O2/c1-4-9-10(5-2)15-16-12(11(9)13(18)19)17-7-8(3)6-14-17/h6-7H,4-5H2,1-3H3,(H,18,19)
InChIKeyVKYUABMECGLNFH-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.79
Rot. Bonds4

About 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid

5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid (PubChem CID 80517298) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid
PubChem CID80517298
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid
SMILESCCc1nnc(-n2cc(C)cn2)c(C(=O)O)c1CC
InChIInChI=1S/C13H16N4O2/c1-4-9-10(5-2)15-16-12(11(9)13(18)19)17-7-8(3)6-14-17/h6-7H,4-5H2,1-3H3,(H,18,19)
InChIKeyVKYUABMECGLNFH-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid (CID 80517298) is 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid is CCc1nnc(-n2cc(C)cn2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is VKYUABMECGLNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-9-10(5-2)15-16-12(11(9)13(18)19)17-7-8(3)6-14-17/h6-7H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(4-methylpyrazol-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).