5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one

C12H17F3N4O — CID 114397403

IUPAC5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCNCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-16-3-6-19-11(20)7-10(8-17-19)18-4-1-2-5-18/h7-8,16H,1-6,9H2
InChIKeyDHSZVKXXPAXCHS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.00
Rot. Bonds5

About 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one

5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one (PubChem CID 114397403) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
PubChem CID114397403
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CCNCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-16-3-6-19-11(20)7-10(8-17-19)18-4-1-2-5-18/h7-8,16H,1-6,9H2
InChIKeyDHSZVKXXPAXCHS-UHFFFAOYSA-N
XLogP1.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.00
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

2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3(2H)-one
CID 72868732
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220641
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221221
5-(2-Aminoethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221265
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one (CID 114397403) is 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one is O=c1cc(N2CCCC2)cnn1CCNCC(F)(F)F.
What is the InChIKey of 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
The InChIKey is DHSZVKXXPAXCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)9-16-3-6-19-11(20)7-10(8-17-19)18-4-1-2-5-18/h7-8,16H,1-6,9H2.
What are the key properties of 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one?
5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one has a molecular weight of 290.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).