1-pyridazin-4-ylnonan-1-ol

C13H22N2O — CID 105085715

IUPAC1-pyridazin-4-ylnonan-1-ol
SMILESCCCCCCCCC(O)c1ccnnc1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-13(16)12-9-10-14-15-11-12/h9-11,13,16H,2-8H2,1H3
InChIKeyBZTXOCRJJYVONX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds8

About 1-pyridazin-4-ylnonan-1-ol

1-pyridazin-4-ylnonan-1-ol (PubChem CID 105085715) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-pyridazin-4-ylnonan-1-ol.

Molecular Properties

Compound Name1-pyridazin-4-ylnonan-1-ol
PubChem CID105085715
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-pyridazin-4-ylnonan-1-ol
SMILESCCCCCCCCC(O)c1ccnnc1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-13(16)12-9-10-14-15-11-12/h9-11,13,16H,2-8H2,1H3
InChIKeyBZTXOCRJJYVONX-UHFFFAOYSA-N
XLogP3.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-4-yltridecan-1-ol
CID 63410309
1-pyridazin-4-ylhexylhydrazine
CID 105294660
N-methyl-1-pyridazin-4-ylnonan-1-amine
CID 105128253
3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
CID 114983817
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
1-pyrimidin-5-ylheptan-1-ol
CID 63901616
(1R)-1-phenyloctan-1-ol
CID 12794259
4-(1-hydroxytridecyl)phenol
CID 57120972
1-pyrimidin-5-ylhexan-1-ol
CID 15889672
2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
CID 105120710
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-ylnonan-1-ol?
The IUPAC name of 1-pyridazin-4-ylnonan-1-ol (CID 105085715) is 1-pyridazin-4-ylnonan-1-ol.
What is the SMILES notation for 1-pyridazin-4-ylnonan-1-ol?
The canonical SMILES for 1-pyridazin-4-ylnonan-1-ol is CCCCCCCCC(O)c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-ylnonan-1-ol?
The InChIKey is BZTXOCRJJYVONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-13(16)12-9-10-14-15-11-12/h9-11,13,16H,2-8H2,1H3.
What are the key properties of 1-pyridazin-4-ylnonan-1-ol?
1-pyridazin-4-ylnonan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-ylnonan-1-ol is sourced from PubChem (CID 105085715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).