3-(3-methoxyprop-1-ynyl)-6-methylpyridazine

C9H10N2O — CID 122241979

IUPAC3-(3-methoxyprop-1-ynyl)-6-methylpyridazine
SMILESCOCC#Cc1ccc(C)nn1
InChIInChI=1S/C9H10N2O/c1-8-5-6-9(11-10-8)4-3-7-12-2/h5-6H,7H2,1-2H3
InChIKeyKBGZNJUIMIIQMA-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.78
Rot. Bonds1

About 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine

3-(3-methoxyprop-1-ynyl)-6-methylpyridazine (PubChem CID 122241979) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(3-methoxyprop-1-ynyl)-6-methylpyridazine
PubChem CID122241979
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-(3-methoxyprop-1-ynyl)-6-methylpyridazine
SMILESCOCC#Cc1ccc(C)nn1
InChIInChI=1S/C9H10N2O/c1-8-5-6-9(11-10-8)4-3-7-12-2/h5-6H,7H2,1-2H3
InChIKeyKBGZNJUIMIIQMA-UHFFFAOYSA-N
XLogP0.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.78
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-(3-methoxyprop-1-ynyl)-6-methylpyridazine?
The IUPAC name of 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine (CID 122241979) is 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine.
What is the SMILES notation for 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine?
The canonical SMILES for 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine is COCC#Cc1ccc(C)nn1.
What is the InChIKey of 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine?
The InChIKey is KBGZNJUIMIIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-8-5-6-9(11-10-8)4-3-7-12-2/h5-6H,7H2,1-2H3.
What are the key properties of 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine?
3-(3-methoxyprop-1-ynyl)-6-methylpyridazine has a molecular weight of 162.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyprop-1-ynyl)-6-methylpyridazine is sourced from PubChem (CID 122241979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).