2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C9H12F3N3O — CID 107484424

IUPAC2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cnnc(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-7-4-8(14-13-5-7)15(2-3-16)6-9(10,11)12/h4-5,16H,2-3,6H2,1H3
InChIKeyJDFGXAAQTDINEI-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.15
Rot. Bonds4

About 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484424) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484424
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cnnc(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-7-4-8(14-13-5-7)15(2-3-16)6-9(10,11)12/h4-5,16H,2-3,6H2,1H3
InChIKeyJDFGXAAQTDINEI-UHFFFAOYSA-N
XLogP1.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484424) is 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cc1cnnc(N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JDFGXAAQTDINEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-7-4-8(14-13-5-7)15(2-3-16)6-9(10,11)12/h4-5,16H,2-3,6H2,1H3.
What are the key properties of 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 235.21 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).