6-but-2-ynoxy-2-methylpyridazin-3-one

C9H10N2O2 — CID 126954664

IUPAC6-but-2-ynoxy-2-methylpyridazin-3-one
SMILESCC#CCOc1ccc(=O)n(C)n1
InChIInChI=1S/C9H10N2O2/c1-3-4-7-13-8-5-6-9(12)11(2)10-8/h5-6H,7H2,1-2H3
InChIKeyUUMWVYLEGWALQH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.18
Rot. Bonds2

About 6-but-2-ynoxy-2-methylpyridazin-3-one

6-but-2-ynoxy-2-methylpyridazin-3-one (PubChem CID 126954664) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-but-2-ynoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-but-2-ynoxy-2-methylpyridazin-3-one
PubChem CID126954664
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-but-2-ynoxy-2-methylpyridazin-3-one
SMILESCC#CCOc1ccc(=O)n(C)n1
InChIInChI=1S/C9H10N2O2/c1-3-4-7-13-8-5-6-9(12)11(2)10-8/h5-6H,7H2,1-2H3
InChIKeyUUMWVYLEGWALQH-UHFFFAOYSA-N
XLogP0.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-but-2-ynoxy-2-methylpyridazin-3-one?
The IUPAC name of 6-but-2-ynoxy-2-methylpyridazin-3-one (CID 126954664) is 6-but-2-ynoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-but-2-ynoxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-but-2-ynoxy-2-methylpyridazin-3-one is CC#CCOc1ccc(=O)n(C)n1.
What is the InChIKey of 6-but-2-ynoxy-2-methylpyridazin-3-one?
The InChIKey is UUMWVYLEGWALQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-3-4-7-13-8-5-6-9(12)11(2)10-8/h5-6H,7H2,1-2H3.
What are the key properties of 6-but-2-ynoxy-2-methylpyridazin-3-one?
6-but-2-ynoxy-2-methylpyridazin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-ynoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 126954664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).