5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one

C12H16F3N3O2 — CID 103220720

IUPAC5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCOCC(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)8-20-5-4-18-11(19)6-10(7-16-18)17-9-2-1-3-9/h6-7,9,17H,1-5,8H2
InChIKeyDFYMUAFVAGLNAD-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.79
Rot. Bonds6

About 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one

5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (PubChem CID 103220720) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
PubChem CID103220720
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCOCC(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)8-20-5-4-18-11(19)6-10(7-16-18)17-9-2-1-3-9/h6-7,9,17H,1-5,8H2
InChIKeyDFYMUAFVAGLNAD-UHFFFAOYSA-N
XLogP1.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
5-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725139
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725140
5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
5-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592
5-(Cyclopropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219987
5-(Cyclopropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220020
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (CID 103220720) is 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CCOCC(F)(F)F.
What is the InChIKey of 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The InChIKey is DFYMUAFVAGLNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)8-20-5-4-18-11(19)6-10(7-16-18)17-9-2-1-3-9/h6-7,9,17H,1-5,8H2.
What are the key properties of 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one has a molecular weight of 291.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103220720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).