3-ethynyl-6-methoxypyridazine

C7H6N2O — CID 99978963

IUPAC3-ethynyl-6-methoxypyridazine
SMILESC#Cc1ccc(OC)nn1
InChIInChI=1S/C7H6N2O/c1-3-6-4-5-7(10-2)9-8-6/h1,4-5H,2H3
InChIKeyRALVCNMFOJCDLT-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.47
Rot. Bonds1

About 3-ethynyl-6-methoxypyridazine

3-ethynyl-6-methoxypyridazine (PubChem CID 99978963) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-ethynyl-6-methoxypyridazine.

Molecular Properties

Compound Name3-ethynyl-6-methoxypyridazine
PubChem CID99978963
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name3-ethynyl-6-methoxypyridazine
SMILESC#Cc1ccc(OC)nn1
InChIInChI=1S/C7H6N2O/c1-3-6-4-5-7(10-2)9-8-6/h1,4-5H,2H3
InChIKeyRALVCNMFOJCDLT-UHFFFAOYSA-N
XLogP0.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-6-methoxypyridazine?
The IUPAC name of 3-ethynyl-6-methoxypyridazine (CID 99978963) is 3-ethynyl-6-methoxypyridazine.
What is the SMILES notation for 3-ethynyl-6-methoxypyridazine?
The canonical SMILES for 3-ethynyl-6-methoxypyridazine is C#Cc1ccc(OC)nn1.
What is the InChIKey of 3-ethynyl-6-methoxypyridazine?
The InChIKey is RALVCNMFOJCDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-3-6-4-5-7(10-2)9-8-6/h1,4-5H,2H3.
What are the key properties of 3-ethynyl-6-methoxypyridazine?
3-ethynyl-6-methoxypyridazine has a molecular weight of 134.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6-methoxypyridazine is sourced from PubChem (CID 99978963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).