5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile

C9H10F2N4O — CID 107479570

IUPAC5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C9H10F2N4O/c10-8(11)6-15(1-2-16)9-5-13-7(3-12)4-14-9/h4-5,8,16H,1-2,6H2
InChIKeyUAQFZTVSHROIFR-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.41
Rot. Bonds5

About 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile

5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile (PubChem CID 107479570) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
PubChem CID107479570
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Name5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C9H10F2N4O/c10-8(11)6-15(1-2-16)9-5-13-7(3-12)4-14-9/h4-5,8,16H,1-2,6H2
InChIKeyUAQFZTVSHROIFR-UHFFFAOYSA-N
XLogP0.41
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
5-[2-aminoethyl(ethyl)amino]pyrazine-2-carbonitrile
CID 114900596
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 107480405
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-fluorobenzonitrile
CID 107479576
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
CID 107479568
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
CID 65487650
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
CID 107480460

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile (CID 107479570) is 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(N(CCO)CC(F)F)cn1.
What is the InChIKey of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is UAQFZTVSHROIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O/c10-8(11)6-15(1-2-16)9-5-13-7(3-12)4-14-9/h4-5,8,16H,1-2,6H2.
What are the key properties of 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile?
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 228.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107479570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).