3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol

C10H14N2O — CID 130857573

IUPAC3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol
SMILESC=C(C)CC(O)c1ccc(C)nn1
InChIInChI=1S/C10H14N2O/c1-7(2)6-10(13)9-5-4-8(3)11-12-9/h4-5,10,13H,1,6H2,2-3H3
InChIKeyZKDKDCZJDWGGDS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol

3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol (PubChem CID 130857573) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol
PubChem CID130857573
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol
SMILESC=C(C)CC(O)c1ccc(C)nn1
InChIInChI=1S/C10H14N2O/c1-7(2)6-10(13)9-5-4-8(3)11-12-9/h4-5,10,13H,1,6H2,2-3H3
InChIKeyZKDKDCZJDWGGDS-UHFFFAOYSA-N
XLogP1.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol?
The IUPAC name of 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol (CID 130857573) is 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol.
What is the SMILES notation for 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol?
The canonical SMILES for 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol is C=C(C)CC(O)c1ccc(C)nn1.
What is the InChIKey of 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol?
The InChIKey is ZKDKDCZJDWGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)6-10(13)9-5-4-8(3)11-12-9/h4-5,10,13H,1,6H2,2-3H3.
What are the key properties of 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol?
3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methylpyridazin-3-yl)but-3-en-1-ol is sourced from PubChem (CID 130857573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).