4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H14F3N3O2 — CID 153358095

IUPAC4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCCOCCNc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-2-4-18-5-3-14-7-6-15-16-9(17)8(7)10(11,12)13/h6H,2-5H2,1H3,(H2,14,16,17)
InChIKeyBKQPIVTUKXTECZ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.63
Rot. Bonds6

About 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 153358095) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID153358095
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCCCOCCNc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-2-4-18-5-3-14-7-6-15-16-9(17)8(7)10(11,12)13/h6H,2-5H2,1H3,(H2,14,16,17)
InChIKeyBKQPIVTUKXTECZ-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(morpholinoamino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 135439679
4-{[(morpholin-4-yl)amino]methylidene}-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 3335771
methyl 3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]butoxy]propanoate
CID 146218078
methyl 3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]butoxy]propanoate
CID 146218079
3-[(2S)-3-methoxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoic acid
CID 146218115
3-[3-methoxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoic acid
CID 146218120
methyl 3-[(2S)-3-methoxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoate
CID 146218266
methyl 3-[3-methoxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoate
CID 146218267
methyl 3-[2-methyl-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoate
CID 146218579
3-[(2R)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoic acid
CID 146218868
3-[(2R)-3-methoxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoic acid
CID 146218869
3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]propoxy]propanoic acid
CID 146218870

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 153358095) is 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is CCCOCCNc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is BKQPIVTUKXTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-4-18-5-3-14-7-6-15-16-9(17)8(7)10(11,12)13/h6H,2-5H2,1H3,(H2,14,16,17).
What are the key properties of 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 265.23 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 153358095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).