3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid

C11H15N3O3 — CID 80517608

IUPAC3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCC1CCCOC1
InChIInChI=1S/C11H15N3O3/c15-11(16)9-3-4-13-14-10(9)12-6-8-2-1-5-17-7-8/h3-4,8H,1-2,5-7H2,(H,12,14)(H,15,16)
InChIKeyGFDYYHMYLJGPHI-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.01
Rot. Bonds4

About 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid

3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80517608) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80517608
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCC1CCCOC1
InChIInChI=1S/C11H15N3O3/c15-11(16)9-3-4-13-14-10(9)12-6-8-2-1-5-17-7-8/h3-4,8H,1-2,5-7H2,(H,12,14)(H,15,16)
InChIKeyGFDYYHMYLJGPHI-UHFFFAOYSA-N
XLogP1.01
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
CID 80511281
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
5-bromo-2-(oxan-3-ylmethylamino)benzoic acid
CID 114895502
3-(oxan-4-ylmethylamino)pyridazine-4-carbothioamide
CID 80511706
5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631917
1-(oxolan-3-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766978
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
CID 115657139
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid (CID 80517608) is 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is GFDYYHMYLJGPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)9-3-4-13-14-10(9)12-6-8-2-1-5-17-7-8/h3-4,8H,1-2,5-7H2,(H,12,14)(H,15,16).
What are the key properties of 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid?
3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).