3-methoxy-6-(2-phenylethynyl)pyridazine

C13H10N2O — CID 11275828

IUPAC3-methoxy-6-(2-phenylethynyl)pyridazine
SMILESCOc1ccc(C#Cc2ccccc2)nn1
InChIInChI=1S/C13H10N2O/c1-16-13-10-9-12(14-15-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3
InChIKeyUSYGCEGNUDWVRW-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.88
Rot. Bonds1

About 3-methoxy-6-(2-phenylethynyl)pyridazine

3-methoxy-6-(2-phenylethynyl)pyridazine (PubChem CID 11275828) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methoxy-6-(2-phenylethynyl)pyridazine.

Molecular Properties

Compound Name3-methoxy-6-(2-phenylethynyl)pyridazine
PubChem CID11275828
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-methoxy-6-(2-phenylethynyl)pyridazine
SMILESCOc1ccc(C#Cc2ccccc2)nn1
InChIInChI=1S/C13H10N2O/c1-16-13-10-9-12(14-15-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3
InChIKeyUSYGCEGNUDWVRW-UHFFFAOYSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxycinnoline
CID 560720
3-Chloro-6-(3-methoxyphenyl)pyridazine
CID 12726812
6-Heptyloxy-3,4-diphenyl-pyridazine
CID 11110783
3-Chloro-6-(2-methoxyphenyl)pyridazine
CID 26370277
[3-(6-Methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
3-Ethynyl-6-methoxypyridazine
CID 99978963
6-Methoxy-3,4-dimethylpyridazine
CID 130784986
6-Hexyloxy-3,4-diphenyl-pyridazine
CID 10925614
6-Pentyloxy-3,4-diphenyl-pyridazine
CID 10947107
6-Nonyloxy-3,4-diphenyl-pyridazine
CID 10959718
6-Octyloxy-3,4-diphenyl-pyridazine
CID 11121964
3-(6-Butoxypyridazin-3-yl)benzonitrile
CID 155523713

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(2-phenylethynyl)pyridazine?
The IUPAC name of 3-methoxy-6-(2-phenylethynyl)pyridazine (CID 11275828) is 3-methoxy-6-(2-phenylethynyl)pyridazine.
What is the SMILES notation for 3-methoxy-6-(2-phenylethynyl)pyridazine?
The canonical SMILES for 3-methoxy-6-(2-phenylethynyl)pyridazine is COc1ccc(C#Cc2ccccc2)nn1.
What is the InChIKey of 3-methoxy-6-(2-phenylethynyl)pyridazine?
The InChIKey is USYGCEGNUDWVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-16-13-10-9-12(14-15-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3.
What are the key properties of 3-methoxy-6-(2-phenylethynyl)pyridazine?
3-methoxy-6-(2-phenylethynyl)pyridazine has a molecular weight of 210.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(2-phenylethynyl)pyridazine is sourced from PubChem (CID 11275828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).