2-[(4-cyanopyridazin-3-yl)amino]propanoic acid

C8H8N4O2 — CID 80507944

IUPAC2-[(4-cyanopyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1nnccc1C#N)C(=O)O
InChIInChI=1S/C8H8N4O2/c1-5(8(13)14)11-7-6(4-9)2-3-10-12-7/h2-3,5H,1H3,(H,11,12)(H,13,14)
InChIKeyXNGMQCOHPBQWLV-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.23
Rot. Bonds3

About 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid

2-[(4-cyanopyridazin-3-yl)amino]propanoic acid (PubChem CID 80507944) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyanopyridazin-3-yl)amino]propanoic acid
PubChem CID80507944
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-[(4-cyanopyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1nnccc1C#N)C(=O)O
InChIInChI=1S/C8H8N4O2/c1-5(8(13)14)11-7-6(4-9)2-3-10-12-7/h2-3,5H,1H3,(H,11,12)(H,13,14)
InChIKeyXNGMQCOHPBQWLV-UHFFFAOYSA-N
XLogP0.23
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Cyanopyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80508659
2-[(4-Cyanopyridazin-3-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80508731
3-(Propylamino)pyridazine-4-carbonitrile
CID 46848637
3-(Butylamino)pyridazine-4-carbonitrile
CID 46848638
(2S)-2-(pyridazin-3-ylamino)propanoic acid
CID 94453208
N-ethylpyridazin-3-amine;2-methylbutanoic acid
CID 159018673
3-(2-Hydroxyethylamino)pyridazine-4-carbonitrile
CID 12370957
3-(3-Hydroxypropylamino)pyridazine-4-carbonitrile
CID 12370958
3-(Propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
Ethyl 2-(pyridazin-3-ylamino)propanoate
CID 62481226
Methyl 3-methyl-2-(pyridazin-3-ylamino)butanoate
CID 62482219
Methyl 2-(pyridazin-3-ylamino)propanoate
CID 62483247

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid (CID 80507944) is 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid is CC(Nc1nnccc1C#N)C(=O)O.
What is the InChIKey of 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
The InChIKey is XNGMQCOHPBQWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(8(13)14)11-7-6(4-9)2-3-10-12-7/h2-3,5H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
2-[(4-cyanopyridazin-3-yl)amino]propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanopyridazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 80507944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).