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

C10H9N3O2S — CID 82083329

IUPAC2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
SMILESO=C(O)CNc1ccc(-c2cccs2)nn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)6-11-9-4-3-7(12-13-9)8-2-1-5-16-8/h1-5H,6H2,(H,11,13)(H,14,15)
InChIKeyIUMCJRZVBQZFSY-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.70
Rot. Bonds4

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

2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid (PubChem CID 82083329) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
PubChem CID82083329
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid
SMILESO=C(O)CNc1ccc(-c2cccs2)nn1
InChIInChI=1S/C10H9N3O2S/c14-10(15)6-11-9-4-3-7(12-13-9)8-2-1-5-16-8/h1-5H,6H2,(H,11,13)(H,14,15)
InChIKeyIUMCJRZVBQZFSY-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-thiophen-2-ylpyridazin-3-yl)amino]propanoic acid
CID 82087110
1-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970558
1-N-(6-thiophen-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970824
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
CID 116975091
2-N-(6-thiophen-2-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970506
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 141450191
2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 6417104
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448

Frequently Asked Questions

What is the IUPAC name of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid?
The IUPAC name of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid (CID 82083329) is 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid is O=C(O)CNc1ccc(-c2cccs2)nn1.
What is the InChIKey of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid?
The InChIKey is IUMCJRZVBQZFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-10(15)6-11-9-4-3-7(12-13-9)8-2-1-5-16-8/h1-5H,6H2,(H,11,13)(H,14,15).
What are the key properties of 2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid?
2-[(6-thiophen-2-ylpyridazin-3-yl)amino]acetic acid has a molecular weight of 235.27 g/mol, XLogP of 1.70, 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]acetic acid is sourced from PubChem (CID 82083329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).