8-amino-3-pyridazin-3-yloctan-3-ol

C12H21N3O — CID 118057156

IUPAC8-amino-3-pyridazin-3-yloctan-3-ol
SMILESCCC(O)(CCCCCN)c1cccnn1
InChIInChI=1S/C12H21N3O/c1-2-12(16,8-4-3-5-9-13)11-7-6-10-14-15-11/h6-7,10,16H,2-5,8-9,13H2,1H3
InChIKeyIPXHWADSESIOGL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds7

About 8-amino-3-pyridazin-3-yloctan-3-ol

8-amino-3-pyridazin-3-yloctan-3-ol (PubChem CID 118057156) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 8-amino-3-pyridazin-3-yloctan-3-ol.

Molecular Properties

Compound Name8-amino-3-pyridazin-3-yloctan-3-ol
PubChem CID118057156
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name8-amino-3-pyridazin-3-yloctan-3-ol
SMILESCCC(O)(CCCCCN)c1cccnn1
InChIInChI=1S/C12H21N3O/c1-2-12(16,8-4-3-5-9-13)11-7-6-10-14-15-11/h6-7,10,16H,2-5,8-9,13H2,1H3
InChIKeyIPXHWADSESIOGL-UHFFFAOYSA-N
XLogP1.59
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 8-amino-3-pyridazin-3-yloctan-3-ol?
The IUPAC name of 8-amino-3-pyridazin-3-yloctan-3-ol (CID 118057156) is 8-amino-3-pyridazin-3-yloctan-3-ol.
What is the SMILES notation for 8-amino-3-pyridazin-3-yloctan-3-ol?
The canonical SMILES for 8-amino-3-pyridazin-3-yloctan-3-ol is CCC(O)(CCCCCN)c1cccnn1.
What is the InChIKey of 8-amino-3-pyridazin-3-yloctan-3-ol?
The InChIKey is IPXHWADSESIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-12(16,8-4-3-5-9-13)11-7-6-10-14-15-11/h6-7,10,16H,2-5,8-9,13H2,1H3.
What are the key properties of 8-amino-3-pyridazin-3-yloctan-3-ol?
8-amino-3-pyridazin-3-yloctan-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-pyridazin-3-yloctan-3-ol is sourced from PubChem (CID 118057156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).