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

C9H10N4O2 — CID 80507780

IUPAC3-[(4-cyanopyridazin-3-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1nnccc1C#N
InChIInChI=1S/C9H10N4O2/c1-6(4-8(14)15)12-9-7(5-10)2-3-11-13-9/h2-3,6H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyLAGVVDRXHDGICD-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.62
Rot. Bonds4

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

3-[(4-cyanopyridazin-3-yl)amino]butanoic acid (PubChem CID 80507780) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-cyanopyridazin-3-yl)amino]butanoic acid
PubChem CID80507780
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name3-[(4-cyanopyridazin-3-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1nnccc1C#N
InChIInChI=1S/C9H10N4O2/c1-6(4-8(14)15)12-9-7(5-10)2-3-11-13-9/h2-3,6H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyLAGVVDRXHDGICD-UHFFFAOYSA-N
XLogP0.62
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.62
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]butanoic acid?
The IUPAC name of 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid (CID 80507780) is 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid?
The canonical SMILES for 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid is CC(CC(=O)O)Nc1nnccc1C#N.
What is the InChIKey of 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid?
The InChIKey is LAGVVDRXHDGICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(4-8(14)15)12-9-7(5-10)2-3-11-13-9/h2-3,6H,4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(4-cyanopyridazin-3-yl)amino]butanoic acid?
3-[(4-cyanopyridazin-3-yl)amino]butanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.62, 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]butanoic acid is sourced from PubChem (CID 80507780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).