2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one

C12H15N3O2 — CID 30877097

IUPAC2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one
SMILESCC#CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H15N3O2/c1-2-3-4-15-12(16)9-11(10-13-15)14-5-7-17-8-6-14/h9-10H,4-8H2,1H3
InChIKeyZVFDXRGKEJYWRP-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.10
Rot. Bonds2

About 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one

2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 30877097) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID30877097
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one
SMILESCC#CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H15N3O2/c1-2-3-4-15-12(16)9-11(10-13-15)14-5-7-17-8-6-14/h9-10H,4-8H2,1H3
InChIKeyZVFDXRGKEJYWRP-UHFFFAOYSA-N
XLogP0.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
3(2H)-Pyridazinone, 2-allyl-4-ethoxy-5-morpholino-
CID 3057329
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
Ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 114393893
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
5-(4-Morpholinyl)-3(2H)-pyridazinone
CID 12550771
6-Methoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 9991237
6-Ethoxy-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 10332492
2-Ethyl-5-morpholin-4-yl-6-propoxypyridazin-3-one
CID 10445697

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one (CID 30877097) is 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one is CC#CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is ZVFDXRGKEJYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-4-15-12(16)9-11(10-13-15)14-5-7-17-8-6-14/h9-10H,4-8H2,1H3.
What are the key properties of 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one?
2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 233.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 30877097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).