5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one

C12H19F3N4O2 — CID 103223496

IUPAC5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(CCCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C12H19F3N4O2/c1-18(5-3-16)10-7-11(20)19(17-8-10)4-2-6-21-9-12(13,14)15/h7-8H,2-6,9,16H2,1H3
InChIKeyUSWZCRAPSMXBGX-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.61
Rot. Bonds8

About 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one (PubChem CID 103223496) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
PubChem CID103223496
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
SMILESCN(CCN)c1cnn(CCCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C12H19F3N4O2/c1-18(5-3-16)10-7-11(20)19(17-8-10)4-2-6-21-9-12(13,14)15/h7-8H,2-6,9,16H2,1H3
InChIKeyUSWZCRAPSMXBGX-UHFFFAOYSA-N
XLogP0.61
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]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

2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
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
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one (CID 103223496) is 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one is CN(CCN)c1cnn(CCCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
The InChIKey is USWZCRAPSMXBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-18(5-3-16)10-7-11(20)19(17-8-10)4-2-6-21-9-12(13,14)15/h7-8H,2-6,9,16H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one has a molecular weight of 308.30 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one is sourced from PubChem (CID 103223496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).