3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid

C10H15N3O3 — CID 104765960

IUPAC3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
SMILESCOC(C)(C)CNc1nnccc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,16-3)6-11-8-7(9(14)15)4-5-12-13-8/h4-5H,6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyMDCZEVVDDBRJKN-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.01
Rot. Bonds5

About 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid

3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid (PubChem CID 104765960) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
PubChem CID104765960
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
SMILESCOC(C)(C)CNc1nnccc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-10(2,16-3)6-11-8-7(9(14)15)4-5-12-13-8/h4-5H,6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyMDCZEVVDDBRJKN-UHFFFAOYSA-N
XLogP1.01
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
CID 80516950

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid (CID 104765960) is 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid is COC(C)(C)CNc1nnccc1C(=O)O.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is MDCZEVVDDBRJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,16-3)6-11-8-7(9(14)15)4-5-12-13-8/h4-5H,6H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid?
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 104765960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).