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

C13H19N3O2 — CID 116971462

IUPAC2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(C2CCCCC2)nn1)C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9(13(17)18)14-12-8-7-11(15-16-12)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyHHNQXBLDARJOLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds4

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

2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid (PubChem CID 116971462) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
PubChem CID116971462
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
SMILESCC(Nc1ccc(C2CCCCC2)nn1)C(=O)O
InChIInChI=1S/C13H19N3O2/c1-9(13(17)18)14-12-8-7-11(15-16-12)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyHHNQXBLDARJOLB-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid (CID 116971462) is 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid is CC(Nc1ccc(C2CCCCC2)nn1)C(=O)O.
What is the InChIKey of 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid?
The InChIKey is HHNQXBLDARJOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(13(17)18)14-12-8-7-11(15-16-12)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid?
2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 116971462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).