6-methoxy-2-prop-2-ynylpyridazin-3-one

C8H8N2O2 — CID 105061955

IUPAC6-methoxy-2-prop-2-ynylpyridazin-3-one
SMILESC#CCn1nc(OC)ccc1=O
InChIInChI=1S/C8H8N2O2/c1-3-6-10-8(11)5-4-7(9-10)12-2/h1,4-5H,6H2,2H3
InChIKeyVFZUCBFWYIONOU-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.11
Rot. Bonds2

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

6-methoxy-2-prop-2-ynylpyridazin-3-one (PubChem CID 105061955) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-methoxy-2-prop-2-ynylpyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-prop-2-ynylpyridazin-3-one
PubChem CID105061955
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-methoxy-2-prop-2-ynylpyridazin-3-one
SMILESC#CCn1nc(OC)ccc1=O
InChIInChI=1S/C8H8N2O2/c1-3-6-10-8(11)5-4-7(9-10)12-2/h1,4-5H,6H2,2H3
InChIKeyVFZUCBFWYIONOU-UHFFFAOYSA-N
XLogP-0.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
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

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-methyl-6-propoxypyridazin-3(2H)-one
CID 5243598
6-Prop-2-ynoxy-2-prop-2-ynylpyridazin-3-one
CID 11469520
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
Trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746484
2-(2,2-Difluoroethyl)-6-methoxypyridazin-3-one
CID 130627801
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(2-Bromoethyl)-6-methoxypyridazin-3-one
CID 105061600
2-(3-Bromopropyl)-6-methoxypyridazin-3-one
CID 105061601

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-prop-2-ynylpyridazin-3-one?
The IUPAC name of 6-methoxy-2-prop-2-ynylpyridazin-3-one (CID 105061955) is 6-methoxy-2-prop-2-ynylpyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-prop-2-ynylpyridazin-3-one?
The canonical SMILES for 6-methoxy-2-prop-2-ynylpyridazin-3-one is C#CCn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-prop-2-ynylpyridazin-3-one?
The InChIKey is VFZUCBFWYIONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-6-10-8(11)5-4-7(9-10)12-2/h1,4-5H,6H2,2H3.
What are the key properties of 6-methoxy-2-prop-2-ynylpyridazin-3-one?
6-methoxy-2-prop-2-ynylpyridazin-3-one has a molecular weight of 164.16 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-prop-2-ynylpyridazin-3-one is sourced from PubChem (CID 105061955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).