6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid

C11H16N4O3 — CID 117100434

IUPAC6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N2CCN(C)CC2)nn1
InChIInChI=1S/C11H16N4O3/c1-14-3-5-15(6-4-14)10-8(11(16)17)7-9(18-2)12-13-10/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPTHROOZATWZBQL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.06
Rot. Bonds3

About 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid

6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 117100434) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
PubChem CID117100434
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(N2CCN(C)CC2)nn1
InChIInChI=1S/C11H16N4O3/c1-14-3-5-15(6-4-14)10-8(11(16)17)7-9(18-2)12-13-10/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyPTHROOZATWZBQL-UHFFFAOYSA-N
XLogP-0.06
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid (CID 117100434) is 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid is COc1cc(C(=O)O)c(N2CCN(C)CC2)nn1.
What is the InChIKey of 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is PTHROOZATWZBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-3-5-15(6-4-14)10-8(11(16)17)7-9(18-2)12-13-10/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid?
6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylpiperazin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117100434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).