3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile

C8H9FN4O2 — CID 141389365

IUPAC3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(F)cnc1NC(CO)CO
InChIInChI=1S/C8H9FN4O2/c9-7-2-11-8(6(1-10)13-7)12-5(3-14)4-15/h2,5,14-15H,3-4H2,(H,11,12)
InChIKeyFQSFHCRGIURKGS-UHFFFAOYSA-N
MW212.18 g/mol
LogP-0.75
Rot. Bonds4

About 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile

3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile (PubChem CID 141389365) has the molecular formula C8H9FN4O2 and a molecular weight of 212.18 g/mol. Its IUPAC name is 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile
PubChem CID141389365
Molecular FormulaC8H9FN4O2
Molecular Weight212.18 g/mol
Exact Mass212.07
IUPAC Name3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(F)cnc1NC(CO)CO
InChIInChI=1S/C8H9FN4O2/c9-7-2-11-8(6(1-10)13-7)12-5(3-14)4-15/h2,5,14-15H,3-4H2,(H,11,12)
InChIKeyFQSFHCRGIURKGS-UHFFFAOYSA-N
XLogP-0.75
TPSA102.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-Dihydropteridin-2-ylmethanol
CID 66794010
6-Fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
CID 141389362
5-[[(2R)-3-fluorobutan-2-yl]amino]pyrazine-2-carbonitrile
CID 173942058
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 62866007
5-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 64288889
3-[2-(2,2-Difluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 103081466
5-[2-(2,2-Difluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 103081578
3-[(3,3-Difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile
CID 103731285
3-[(3,6-Dimethylpyrazin-2-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104695407
3-[(2,2-Difluoro-3-hydroxypropyl)amino]pyrazine-2-carbonitrile
CID 104858480
5-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile
CID 104917143
5-[(3,3-Difluoro-2-hydroxypropyl)amino]pyrazine-2-carbonitrile
CID 104917829

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile?
The IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile (CID 141389365) is 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile?
The canonical SMILES for 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile is N#Cc1nc(F)cnc1NC(CO)CO.
What is the InChIKey of 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile?
The InChIKey is FQSFHCRGIURKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O2/c9-7-2-11-8(6(1-10)13-7)12-5(3-14)4-15/h2,5,14-15H,3-4H2,(H,11,12).
What are the key properties of 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile?
3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile has a molecular weight of 212.18 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile is sourced from PubChem (CID 141389365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).