5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile

C8H8F2N4O — CID 104917829

IUPAC5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC(O)C(F)F)cn1
InChIInChI=1S/C8H8F2N4O/c9-8(10)6(15)3-14-7-4-12-5(1-11)2-13-7/h2,4,6,8,15H,3H2,(H,13,14)
InChIKeySDUVKCHAHVPBQR-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.39
Rot. Bonds4

About 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile

5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile (PubChem CID 104917829) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile
PubChem CID104917829
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC(O)C(F)F)cn1
InChIInChI=1S/C8H8F2N4O/c9-8(10)6(15)3-14-7-4-12-5(1-11)2-13-7/h2,4,6,8,15H,3H2,(H,13,14)
InChIKeySDUVKCHAHVPBQR-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 ≤ 500214.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile (CID 104917829) is 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(NCC(O)C(F)F)cn1.
What is the InChIKey of 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile?
The InChIKey is SDUVKCHAHVPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c9-8(10)6(15)3-14-7-4-12-5(1-11)2-13-7/h2,4,6,8,15H,3H2,(H,13,14).
What are the key properties of 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile?
5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile has a molecular weight of 214.18 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 5-[(3,3-difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104917829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).