[6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol

C8H10F3N3O — CID 61254994

IUPAC[6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
SMILESCN(CC(F)(F)F)c1ccc(CO)nn1
InChIInChI=1S/C8H10F3N3O/c1-14(5-8(9,10)11)7-3-2-6(4-15)12-13-7/h2-3,15H,4-5H2,1H3
InChIKeyHGQUYSRSQODTCW-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.97
Rot. Bonds3

About [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol

[6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol (PubChem CID 61254994) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
PubChem CID61254994
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name[6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
SMILESCN(CC(F)(F)F)c1ccc(CO)nn1
InChIInChI=1S/C8H10F3N3O/c1-14(5-8(9,10)11)7-3-2-6(4-15)12-13-7/h2-3,15H,4-5H2,1H3
InChIKeyHGQUYSRSQODTCW-UHFFFAOYSA-N
XLogP0.97
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol (CID 61254994) is [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol is CN(CC(F)(F)F)c1ccc(CO)nn1.
What is the InChIKey of [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The InChIKey is HGQUYSRSQODTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14(5-8(9,10)11)7-3-2-6(4-15)12-13-7/h2-3,15H,4-5H2,1H3.
What are the key properties of [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
[6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol has a molecular weight of 221.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 61254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).