3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid

C11H17N3O2 — CID 103464876

IUPAC3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
SMILESCCC(C)(C)CNc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-11(2,3)7-12-9-8(10(15)16)5-6-13-14-9/h5-6H,4,7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyGMKCXZVRVDIICJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.02
Rot. Bonds5

About 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid

3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid (PubChem CID 103464876) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
PubChem CID103464876
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
SMILESCCC(C)(C)CNc1nnccc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-11(2,3)7-12-9-8(10(15)16)5-6-13-14-9/h5-6H,4,7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyGMKCXZVRVDIICJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Methyl(3,3,3-trifluoropropyl)amino]pyridazine-4-carboxylic acid
CID 80516572
3-(3,3,3-Trifluoropropylamino)pyridazine-4-carboxylic acid
CID 80516666
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyridazine-4-carboxylic acid
CID 80516670
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazine-4-carboxylic acid
CID 80516720
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516815
3-[Ethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516837
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516838
3-[Propyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516865
3-[Methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carboxylic acid
CID 80516885
3-[3-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517006
3-[4-(Trifluoromethyl)piperidin-1-yl]pyridazine-4-carboxylic acid
CID 80517046
3-(2,2,2-Trifluoroethylamino)pyridazine-4-carboxylic acid
CID 80517660

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid (CID 103464876) is 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid is CCC(C)(C)CNc1nnccc1C(=O)O.
What is the InChIKey of 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid?
The InChIKey is GMKCXZVRVDIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-11(2,3)7-12-9-8(10(15)16)5-6-13-14-9/h5-6H,4,7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid?
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 103464876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).