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

C10H14F3N3O2 — CID 103219215

IUPAC5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESCCNc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H14F3N3O2/c1-2-14-8-5-9(17)16(15-6-8)3-4-18-7-10(11,12)13/h5-6,14H,2-4,7H2,1H3
InChIKeyARRXGMFQAKLRKD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.25
Rot. Bonds6

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

5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (PubChem CID 103219215) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
PubChem CID103219215
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
SMILESCCNc1cnn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H14F3N3O2/c1-2-14-8-5-9(17)16(15-6-8)3-4-18-7-10(11,12)13/h5-6,14H,2-4,7H2,1H3
InChIKeyARRXGMFQAKLRKD-UHFFFAOYSA-N
XLogP1.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.25
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

4-(2-propoxyethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358095
4-Chloro-2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709508
3,3,3-trifluoro-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709509
4-Bromo-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081312
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081449
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
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-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one (CID 103219215) is 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is CCNc1cnn(CCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
The InChIKey is ARRXGMFQAKLRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-14-8-5-9(17)16(15-6-8)3-4-18-7-10(11,12)13/h5-6,14H,2-4,7H2,1H3.
What are the key properties of 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one?
5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one has a molecular weight of 265.23 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 103219215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).