3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid

C10H9N3O2S — CID 80517907

IUPAC3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1cccs1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-3-4-12-13-9(8)11-6-7-2-1-5-16-7/h1-5H,6H2,(H,11,13)(H,14,15)
InChIKeyAXIXUQLGYDJBPN-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.85
Rot. Bonds4

About 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid

3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80517907) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80517907
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCc1cccs1
InChIInChI=1S/C10H9N3O2S/c14-10(15)8-3-4-12-13-9(8)11-6-7-2-1-5-16-7/h1-5H,6H2,(H,11,13)(H,14,15)
InChIKeyAXIXUQLGYDJBPN-UHFFFAOYSA-N
XLogP1.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.85
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-[(4-fluoro-3,5-dimethylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 80517089
1-(thiophen-2-ylmethylamino)isoquinoline-3-carboxylic acid
CID 43173683
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carboxylic acid
CID 80516950
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid (CID 80517907) is 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is AXIXUQLGYDJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-10(15)8-3-4-12-13-9(8)11-6-7-2-1-5-16-7/h1-5H,6H2,(H,11,13)(H,14,15).
What are the key properties of 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid?
3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).