2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol

C9H14F2N4O — CID 107478418

IUPAC2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1cnc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(1-2-16)9-5-13-7(3-12)4-14-9/h4-5,8,16H,1-3,6,12H2
InChIKeyCPBRXDGATLCCDE-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.00
Rot. Bonds6

About 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol

2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478418) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478418
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1cnc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(1-2-16)9-5-13-7(3-12)4-14-9/h4-5,8,16H,1-3,6,12H2
InChIKeyCPBRXDGATLCCDE-UHFFFAOYSA-N
XLogP-0.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
CID 107479570
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
[5-[2,2-difluoroethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372967
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495563
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 107480405
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
2-[2,2-difluoroethyl-[(5-hydrazinylpyrazin-2-yl)methyl]amino]ethanol
CID 107486351
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107478418) is 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol is NCc1cnc(N(CCO)CC(F)F)cn1.
What is the InChIKey of 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is CPBRXDGATLCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c10-8(11)6-15(1-2-16)9-5-13-7(3-12)4-14-9/h4-5,8,16H,1-3,6,12H2.
What are the key properties of 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 232.23 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).