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

C8H8N4O2 — CID 80507967

IUPAC3-[(4-cyanopyridazin-3-yl)amino]propanoic acid
SMILESN#Cc1ccnnc1NCCC(=O)O
InChIInChI=1S/C8H8N4O2/c9-5-6-1-4-11-12-8(6)10-3-2-7(13)14/h1,4H,2-3H2,(H,10,12)(H,13,14)
InChIKeySKHFIYBZORXZEG-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.23
Rot. Bonds4

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

3-[(4-cyanopyridazin-3-yl)amino]propanoic acid (PubChem CID 80507967) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-cyanopyridazin-3-yl)amino]propanoic acid
PubChem CID80507967
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-[(4-cyanopyridazin-3-yl)amino]propanoic acid
SMILESN#Cc1ccnnc1NCCC(=O)O
InChIInChI=1S/C8H8N4O2/c9-5-6-1-4-11-12-8(6)10-3-2-7(13)14/h1,4H,2-3H2,(H,10,12)(H,13,14)
InChIKeySKHFIYBZORXZEG-UHFFFAOYSA-N
XLogP0.23
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
The IUPAC name of 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid (CID 80507967) is 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid is N#Cc1ccnnc1NCCC(=O)O.
What is the InChIKey of 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
The InChIKey is SKHFIYBZORXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-5-6-1-4-11-12-8(6)10-3-2-7(13)14/h1,4H,2-3H2,(H,10,12)(H,13,14).
What are the key properties of 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid?
3-[(4-cyanopyridazin-3-yl)amino]propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanopyridazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 80507967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).