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

C9H12F3N3O — CID 107484362

IUPAC2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-7-8(14-3-2-13-7)15(4-5-16)6-9(10,11)12/h2-3,16H,4-6H2,1H3
InChIKeyVRBBTESCCCGDGY-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.15
Rot. Bonds4

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

2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484362) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484362
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-7-8(14-3-2-13-7)15(4-5-16)6-9(10,11)12/h2-3,16H,4-6H2,1H3
InChIKeyVRBBTESCCCGDGY-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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Related Compounds

2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484495
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484369
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478379
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 107479877
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737805
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 107479884
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484362) is 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nccnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VRBBTESCCCGDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-7-8(14-3-2-13-7)15(4-5-16)6-9(10,11)12/h2-3,16H,4-6H2,1H3.
What are the key properties of 2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-methylpyrazin-2-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-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).