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

C13H18F3N3O2 — CID 103220694

IUPAC5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCCOCC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)9-21-6-2-5-19-12(20)7-11(8-17-19)18-10-3-1-4-10/h7-8,10,18H,1-6,9H2
InChIKeyCVTNWLXBZCHXJM-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.18
Rot. Bonds7

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

5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one (PubChem CID 103220694) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
PubChem CID103220694
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCCOCC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)9-21-6-2-5-19-12(20)7-11(8-17-19)18-10-3-1-4-10/h7-8,10,18H,1-6,9H2
InChIKeyCVTNWLXBZCHXJM-UHFFFAOYSA-N
XLogP2.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.18
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-(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
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220641
5-(Cyclobutylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220720
5-(2-Aminoethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221265

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one (CID 103220694) is 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CCCOCC(F)(F)F.
What is the InChIKey of 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The InChIKey is CVTNWLXBZCHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)9-21-6-2-5-19-12(20)7-11(8-17-19)18-10-3-1-4-10/h7-8,10,18H,1-6,9H2.
What are the key properties of 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one has a molecular weight of 305.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one is sourced from PubChem (CID 103220694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).