5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid

C14H22N4O2 — CID 114541183

IUPAC5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid
SMILESCc1nnc(N2CC(C)N(C)C(C)C2)c(C(=O)O)c1C
InChIInChI=1S/C14H22N4O2/c1-8-6-18(7-9(2)17(8)5)13-12(14(19)20)10(3)11(4)15-16-13/h8-9H,6-7H2,1-5H3,(H,19,20)
InChIKeyZXKJJDNFUXBKIZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.32
Rot. Bonds2

About 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 114541183) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid
PubChem CID114541183
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid
SMILESCc1nnc(N2CC(C)N(C)C(C)C2)c(C(=O)O)c1C
InChIInChI=1S/C14H22N4O2/c1-8-6-18(7-9(2)17(8)5)13-12(14(19)20)10(3)11(4)15-16-13/h8-9H,6-7H2,1-5H3,(H,19,20)
InChIKeyZXKJJDNFUXBKIZ-UHFFFAOYSA-N
XLogP1.32
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid (CID 114541183) is 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid is Cc1nnc(N2CC(C)N(C)C(C)C2)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is ZXKJJDNFUXBKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8-6-18(7-9(2)17(8)5)13-12(14(19)20)10(3)11(4)15-16-13/h8-9H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 114541183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).