5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid

C13H17N3O3 — CID 80731800

IUPAC5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NC2CC3CCC2O3)c(C(=O)O)c1C
InChIInChI=1S/C13H17N3O3/c1-6-7(2)15-16-12(11(6)13(17)18)14-9-5-8-3-4-10(9)19-8/h8-10H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyHUZFSGVFGGBBJM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.52
Rot. Bonds3

About 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid

5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid (PubChem CID 80731800) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid
PubChem CID80731800
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid
SMILESCc1nnc(NC2CC3CCC2O3)c(C(=O)O)c1C
InChIInChI=1S/C13H17N3O3/c1-6-7(2)15-16-12(11(6)13(17)18)14-9-5-8-3-4-10(9)19-8/h8-10H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyHUZFSGVFGGBBJM-UHFFFAOYSA-N
XLogP1.52
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.52
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-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid (CID 80731800) is 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid is Cc1nnc(NC2CC3CCC2O3)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid?
The InChIKey is HUZFSGVFGGBBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-6-7(2)15-16-12(11(6)13(17)18)14-9-5-8-3-4-10(9)19-8/h8-10H,3-5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.52, 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-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80731800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).