3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile

C8H8F2N4O — CID 104858480

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC(F)(F)CO
InChIInChI=1S/C8H8F2N4O/c9-8(10,5-15)4-14-7-6(3-11)12-1-2-13-7/h1-2,15H,4-5H2,(H,13,14)
InChIKeyLWJKABGVEQHHBL-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.39
Rot. Bonds4

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile

3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile (PubChem CID 104858480) has the molecular formula C8H8F2N4O and a molecular weight of 214.17 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile
PubChem CID104858480
Molecular FormulaC8H8F2N4O
Molecular Weight214.17 g/mol
Exact Mass214.07
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCC(F)(F)CO
InChIInChI=1S/C8H8F2N4O/c9-8(10,5-15)4-14-7-6(3-11)12-1-2-13-7/h1-2,15H,4-5H2,(H,13,14)
InChIKeyLWJKABGVEQHHBL-UHFFFAOYSA-N
XLogP0.39
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[Methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile
CID 71934200
3-[3-Hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
CID 71996015
5-[(2,2-Difluoroethyl)amino]pyrazine-2-carbonitrile
CID 86767801
6-Fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
CID 141389362
3-(1,3-Dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile
CID 141389365
3-[[(1S)-2,2-difluorocyclobutyl]amino]pyrazine-2-carbonitrile
CID 173823418
5-[[(2R)-3-fluorobutan-2-yl]amino]pyrazine-2-carbonitrile
CID 173942058
5-[(3,3-Difluorocyclobutyl)amino]pyrazine-2-carbonitrile
CID 174276654
5-[[3-(Difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile
CID 174277737
3-(2,2,2-Trifluoroethylamino)pyrazine-2-carbonitrile
CID 62671627
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 62866007
3-(3,3,3-Trifluoropropylamino)pyrazine-2-carbonitrile
CID 63226632

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile (CID 104858480) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile?
The InChIKey is LWJKABGVEQHHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c9-8(10,5-15)4-14-7-6(3-11)12-1-2-13-7/h1-2,15H,4-5H2,(H,13,14).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile?
3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile has a molecular weight of 214.17 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104858480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).