6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid

C11H14N4O2 — CID 80507942

IUPAC6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid
SMILESN#Cc1ccnnc1NCCCCCC(=O)O
InChIInChI=1S/C11H14N4O2/c12-8-9-5-7-14-15-11(9)13-6-3-1-2-4-10(16)17/h5,7H,1-4,6H2,(H,13,15)(H,16,17)
InChIKeyCNSNSZZEKOADMU-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.41
Rot. Bonds7

About 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid

6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid (PubChem CID 80507942) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid
PubChem CID80507942
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid
SMILESN#Cc1ccnnc1NCCCCCC(=O)O
InChIInChI=1S/C11H14N4O2/c12-8-9-5-7-14-15-11(9)13-6-3-1-2-4-10(16)17/h5,7H,1-4,6H2,(H,13,15)(H,16,17)
InChIKeyCNSNSZZEKOADMU-UHFFFAOYSA-N
XLogP1.41
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid?
The IUPAC name of 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid (CID 80507942) is 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid is N#Cc1ccnnc1NCCCCCC(=O)O.
What is the InChIKey of 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid?
The InChIKey is CNSNSZZEKOADMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-8-9-5-7-14-15-11(9)13-6-3-1-2-4-10(16)17/h5,7H,1-4,6H2,(H,13,15)(H,16,17).
What are the key properties of 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid?
6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanopyridazin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 80507942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).