2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid

C11H11N3O2S — CID 82087110

IUPAC2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(-c2cccs2)nn1)C(=O)O
InChIInChI=1S/C11H11N3O2S/c1-7(11(15)16)12-10-5-4-8(13-14-10)9-3-2-6-17-9/h2-7H,1H3,(H,12,14)(H,15,16)
InChIKeyJIJOZJLFWPSSAA-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.09
Rot. Bonds4

About 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid

2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid (PubChem CID 82087110) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid
PubChem CID82087110
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(-c2cccs2)nn1)C(=O)O
InChIInChI=1S/C11H11N3O2S/c1-7(11(15)16)12-10-5-4-8(13-14-10)9-3-2-6-17-9/h2-7H,1H3,(H,12,14)(H,15,16)
InChIKeyJIJOZJLFWPSSAA-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970506
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
CID 82083329
2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
2-(2-thiophen-2-ylanilino)propanoic acid
CID 66173526
1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970558
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
CID 116971445
(2S)-3-methyl-2-[(6-thiophen-2-ylpyrazin-2-yl)amino]butanoic acid
CID 122049811
1-N-(6-thiophen-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970824
2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
CID 116971462
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594

Frequently Asked Questions

What is the IUPAC name of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid (CID 82087110) is 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid is CC(Nc1ccc(-c2cccs2)nn1)C(=O)O.
What is the InChIKey of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid?
The InChIKey is JIJOZJLFWPSSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(11(15)16)12-10-5-4-8(13-14-10)9-3-2-6-17-9/h2-7H,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid?
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid has a molecular weight of 249.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 82087110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).