4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one

C8H10F3N3O — CID 114393081

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
SMILESCCN(CC(F)(F)F)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H10F3N3O/c1-2-14(5-8(9,10)11)6-3-7(15)13-12-4-6/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyZXTWJEQAYWEVQS-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.16
Rot. Bonds3

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one

4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one (PubChem CID 114393081) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
PubChem CID114393081
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
SMILESCCN(CC(F)(F)F)c1cn[nH]c(=O)c1
InChIInChI=1S/C8H10F3N3O/c1-2-14(5-8(9,10)11)6-3-7(15)13-12-4-6/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyZXTWJEQAYWEVQS-UHFFFAOYSA-N
XLogP1.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Methylhydrazinyl)pyridazin-3(2H)-one
CID 13417077
4-[[(E)-4-aminobut-2-enyl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 169596609
4-(prop-1-en-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175932253
4-[methyl(propylamino)amino]-1H-pyridazin-6-one
CID 134895673
4-(diethylamino)-3,5-difluoro-1H-pyridazin-6-one
CID 44221604
3,5-difluoro-4-[methyl(prop-2-enyl)amino]-1H-pyridazin-6-one
CID 44221807
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyridazin-6-one
CID 105936161
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
CID 106219695
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one
CID 106294600
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
CID 107495495
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
CID 107495496

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one (CID 114393081) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one is CCN(CC(F)(F)F)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
The InChIKey is ZXTWJEQAYWEVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-14(5-8(9,10)11)6-3-7(15)13-12-4-6/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one has a molecular weight of 221.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114393081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).