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

C10H15F3N4O2 — CID 103221290

IUPAC5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESNCCNc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H15F3N4O2/c11-10(12,13)7-19-4-3-17-9(18)5-8(6-16-17)15-2-1-14/h5-6,15H,1-4,7,14H2
InChIKeyZTQJBCSEAIVZJI-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.19
Rot. Bonds7

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

5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (PubChem CID 103221290) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
PubChem CID103221290
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESNCCNc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H15F3N4O2/c11-10(12,13)7-19-4-3-17-9(18)5-8(6-16-17)15-2-1-14/h5-6,15H,1-4,7,14H2
InChIKeyZTQJBCSEAIVZJI-UHFFFAOYSA-N
XLogP0.19
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
5-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
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
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220020
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (CID 103221290) is 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is NCCNc1cnn(CCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The InChIKey is ZTQJBCSEAIVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c11-10(12,13)7-19-4-3-17-9(18)5-8(6-16-17)15-2-1-14/h5-6,15H,1-4,7,14H2.
What are the key properties of 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one has a molecular weight of 280.25 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103221290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).