6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one

C10H8N2O2 — CID 11469520

IUPAC6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one
SMILESC#CCOc1ccc(=O)n(CC#C)n1
InChIInChI=1S/C10H8N2O2/c1-3-7-12-10(13)6-5-9(11-12)14-8-4-2/h1-2,5-6H,7-8H2
InChIKeyZHVDLEYMWXHVEH-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.11
Rot. Bonds3

About 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one

6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one (PubChem CID 11469520) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one.

Molecular Properties

Compound Name6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one
PubChem CID11469520
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one
SMILESC#CCOc1ccc(=O)n(CC#C)n1
InChIInChI=1S/C10H8N2O2/c1-3-7-12-10(13)6-5-9(11-12)14-8-4-2/h1-2,5-6H,7-8H2
InChIKeyZHVDLEYMWXHVEH-UHFFFAOYSA-N
XLogP-0.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-propoxypyridazin-3(2H)-one
CID 5243598
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-Methyl-6-(2-methylpropoxy)pyridazin-3-one
CID 33730565
ethyl (E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoate
CID 105061530
6-Methoxy-2-pent-4-ynylpyridazin-3-one
CID 105061953
2-But-3-ynyl-6-methoxypyridazin-3-one
CID 105061954
6-Methoxy-2-prop-2-ynylpyridazin-3-one
CID 105061955
6-Methoxy-2-[2-(prop-2-ynylamino)ethyl]pyridazin-3-one
CID 105062194
2-Methyl-6-(prop-2-en-1-yloxy)-2,3-dihydropyridazin-3-one
CID 126954647
6-(But-2-yn-1-yloxy)-2-methyl-2,3-dihydropyridazin-3-one
CID 126954664
2-Ethyl-6-methoxypyridazin-3-one
CID 126994832

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one?
The IUPAC name of 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one (CID 11469520) is 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one.
What is the SMILES notation for 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one?
The canonical SMILES for 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one is C#CCOc1ccc(=O)n(CC#C)n1.
What is the InChIKey of 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one?
The InChIKey is ZHVDLEYMWXHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-3-7-12-10(13)6-5-9(11-12)14-8-4-2/h1-2,5-6H,7-8H2.
What are the key properties of 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one?
6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one has a molecular weight of 188.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one is sourced from PubChem (CID 11469520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).