[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol

C8H10F3N3O — CID 170598460

IUPAC[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol
SMILESCCNc1cc(C(F)(F)F)c(CO)nn1
InChIInChI=1S/C8H10F3N3O/c1-2-12-7-3-5(8(9,10)11)6(4-15)13-14-7/h3,15H,2,4H2,1H3,(H,12,14)
InChIKeyYMHWIIGEGGRPJW-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.42
Rot. Bonds3

About [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol

[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol (PubChem CID 170598460) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol
PubChem CID170598460
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol
SMILESCCNc1cc(C(F)(F)F)c(CO)nn1
InChIInChI=1S/C8H10F3N3O/c1-2-12-7-3-5(8(9,10)11)6(4-15)13-14-7/h3,15H,2,4H2,1H3,(H,12,14)
InChIKeyYMHWIIGEGGRPJW-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
CID 68232475
(S)-amino-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
CID 163936146
[6-Amino-4-(trifluoromethyl)pyridazin-3-yl]methanol
CID 170598629
[6-[Cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009135
[6-[Propyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009279
[6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 55009379
[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyridazin-3-yl]methanol
CID 55140580
[6-[Methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 61254994
[6-[(3-Fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61255389
[6-[(2-Fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61412377
[6-[(4-Fluorophenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61413410
[6-[Ethyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
CID 61607883

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol?
The IUPAC name of [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol (CID 170598460) is [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol is CCNc1cc(C(F)(F)F)c(CO)nn1.
What is the InChIKey of [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol?
The InChIKey is YMHWIIGEGGRPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-12-7-3-5(8(9,10)11)6(4-15)13-14-7/h3,15H,2,4H2,1H3,(H,12,14).
What are the key properties of [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol?
[6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol has a molecular weight of 221.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)-4-(trifluoromethyl)pyridazin-3-yl]methanol is sourced from PubChem (CID 170598460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).