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

C8H10F3N3O2 — CID 103218426

IUPAC5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESNc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-14-7(15)3-6(12)4-13-14/h3-4H,1-2,5,12H2
InChIKeyCLIPXEQQRSSCJK-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.40
Rot. Bonds4

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

5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (PubChem CID 103218426) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
PubChem CID103218426
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESNc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-14-7(15)3-6(12)4-13-14/h3-4H,1-2,5,12H2
InChIKeyCLIPXEQQRSSCJK-UHFFFAOYSA-N
XLogP0.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (CID 103218426) is 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is Nc1cnn(CCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The InChIKey is CLIPXEQQRSSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-16-2-1-14-7(15)3-6(12)4-13-14/h3-4H,1-2,5,12H2.
What are the key properties of 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one has a molecular weight of 237.18 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103218426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).