2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H11ClF3N3O — CID 107479169

IUPAC2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)cn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c10-8-4-14-7(3-15-8)5-16(1-2-17)6-9(11,12)13/h3-4,17H,1-2,5-6H2
InChIKeyYLQVWBNABZVOLC-UHFFFAOYSA-N
MW269.65 g/mol
LogP1.49
Rot. Bonds5

About 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107479169) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107479169
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)cn1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3N3O/c10-8-4-14-7(3-15-8)5-16(1-2-17)6-9(11,12)13/h3-4,17H,1-2,5-6H2
InChIKeyYLQVWBNABZVOLC-UHFFFAOYSA-N
XLogP1.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloropyrazin-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 103054102
2-Chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine
CID 118279295
2-Chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine
CID 118279329
1,1,1-Trifluoro-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 63901282
N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 103054211
N-[(5-chloropyrazin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 103054214
N-[(5-chloropyrazin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103054215
N-[(5-chloropyrazin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 103054216
N-[(5-chloropyrazin-2-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 103054321
N-[(5-chloropyrazin-2-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 103054399
1,1,1-Trifluoro-3-{[(pyrazin-2-yl)methyl]amino}propan-2-ol
CID 105643767
1,1-Difluoro-3-(pyrazin-2-ylmethylamino)propan-2-ol
CID 105644452

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107479169) is 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cnc(Cl)cn1)CC(F)(F)F.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YLQVWBNABZVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c10-8-4-14-7(3-15-8)5-16(1-2-17)6-9(11,12)13/h3-4,17H,1-2,5-6H2.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 269.65 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107479169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).