3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid

C13H17N3O2 — CID 62702869

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N2CC3CCC2C3)c(C(=O)O)c1C
InChIInChI=1S/C13H17N3O2/c1-7-8(2)14-15-12(11(7)13(17)18)16-6-9-3-4-10(16)5-9/h9-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyNAMPIAWBXSFQNE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds2

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid

3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62702869) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62702869
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCc1nnc(N2CC3CCC2C3)c(C(=O)O)c1C
InChIInChI=1S/C13H17N3O2/c1-7-8(2)14-15-12(11(7)13(17)18)16-6-9-3-4-10(16)5-9/h9-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyNAMPIAWBXSFQNE-UHFFFAOYSA-N
XLogP1.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid (CID 62702869) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid is Cc1nnc(N2CC3CCC2C3)c(C(=O)O)c1C.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is NAMPIAWBXSFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-8(2)14-15-12(11(7)13(17)18)16-6-9-3-4-10(16)5-9/h9-10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62702869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).