5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid

C11H12N4O3 — CID 81342258

IUPAC5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid
SMILESCc1cc(Oc2nnc(C)c(C)c2C(=O)O)n[nH]1
InChIInChI=1S/C11H12N4O3/c1-5-4-8(14-12-5)18-10-9(11(16)17)6(2)7(3)13-15-10/h4H,1-3H3,(H,12,14)(H,16,17)
InChIKeyIZMGSDNDTCEKCI-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.62
Rot. Bonds3

About 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid (PubChem CID 81342258) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid
PubChem CID81342258
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid
SMILESCc1cc(Oc2nnc(C)c(C)c2C(=O)O)n[nH]1
InChIInChI=1S/C11H12N4O3/c1-5-4-8(14-12-5)18-10-9(11(16)17)6(2)7(3)13-15-10/h4H,1-3H3,(H,12,14)(H,16,17)
InChIKeyIZMGSDNDTCEKCI-UHFFFAOYSA-N
XLogP1.62
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid (CID 81342258) is 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid is Cc1cc(Oc2nnc(C)c(C)c2C(=O)O)n[nH]1.
What is the InChIKey of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid?
The InChIKey is IZMGSDNDTCEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-5-4-8(14-12-5)18-10-9(11(16)17)6(2)7(3)13-15-10/h4H,1-3H3,(H,12,14)(H,16,17).
What are the key properties of 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carboxylic acid is sourced from PubChem (CID 81342258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).