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

C9H13F3N4O — CID 107486251

IUPAC2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1cnc(CN(CCO)CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)6-16(1-2-17)5-7-3-15-8(13)4-14-7/h3-4,17H,1-2,5-6H2,(H2,13,15)
InChIKeyVWUYWLDDBBDOAE-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.42
Rot. Bonds5

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

2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486251) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486251
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1cnc(CN(CCO)CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)6-16(1-2-17)5-7-3-15-8(13)4-14-7/h3-4,17H,1-2,5-6H2,(H2,13,15)
InChIKeyVWUYWLDDBBDOAE-UHFFFAOYSA-N
XLogP0.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486251) is 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Nc1cnc(CN(CCO)CC(F)(F)F)cn1.
What is the InChIKey of 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VWUYWLDDBBDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)6-16(1-2-17)5-7-3-15-8(13)4-14-7/h3-4,17H,1-2,5-6H2,(H2,13,15).
What are the key properties of 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 250.22 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).