3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol

C8H8N2O2 — CID 10329625

IUPAC3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)nn1
InChIInChI=1S/C8H8N2O2/c1-12-8-5-4-7(9-10-8)3-2-6-11/h4-5,11H,6H2,1H3
InChIKeyPUUQIHBAFRNUMD-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.17
Rot. Bonds1

About 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol

3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol (PubChem CID 10329625) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol
PubChem CID10329625
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol
SMILESCOc1ccc(C#CCO)nn1
InChIInChI=1S/C8H8N2O2/c1-12-8-5-4-7(9-10-8)3-2-6-11/h4-5,11H,6H2,1H3
InChIKeyPUUQIHBAFRNUMD-UHFFFAOYSA-N
XLogP-0.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-6-methyl-1,6-dihydropyridazine 1-oxide
CID 494021
(6-Methoxypyridazin-3-yl)methanol
CID 13227305
3-(Chloromethyl)-6-methoxypyridazine
CID 23239696
(6-Methoxypyridazin-3-yl)methanamine
CID 62292461
3-Ethynyl-6-methoxypyridazine
CID 99978963
6-Methoxy-3,4-dimethylpyridazine
CID 130784986
3-Methoxy-6-methylpyridazine
CID 303677
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridazin-3-yl)methanol
CID 104564146
(6-Methoxypyridazin-3-yl)methanamine dihydrochloride
CID 121552977
[6-(Propan-2-yloxy)pyridazin-3-yl]methanol hydrochloride
CID 137944356
3-Methoxy-6-(phenylethynyl)pyridazine
CID 11275828
6-Methoxypyridazine-3-carbonitrile
CID 12536657

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol (CID 10329625) is 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol is COc1ccc(C#CCO)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol?
The InChIKey is PUUQIHBAFRNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-12-8-5-4-7(9-10-8)3-2-6-11/h4-5,11H,6H2,1H3.
What are the key properties of 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol?
3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol has a molecular weight of 164.16 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)prop-2-yn-1-ol is sourced from PubChem (CID 10329625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).