6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile

C8H9FN4O — CID 141389362

IUPAC6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nc(F)cnc1NCCCO
InChIInChI=1S/C8H9FN4O/c9-7-5-12-8(6(4-10)13-7)11-2-1-3-14/h5,14H,1-3H2,(H,11,12)
InChIKeyFOXTVVJYHNLCEC-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.28
Rot. Bonds4

About 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile

6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile (PubChem CID 141389362) has the molecular formula C8H9FN4O and a molecular weight of 196.19 g/mol. Its IUPAC name is 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
PubChem CID141389362
Molecular FormulaC8H9FN4O
Molecular Weight196.19 g/mol
Exact Mass196.08
IUPAC Name6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nc(F)cnc1NCCCO
InChIInChI=1S/C8H9FN4O/c9-7-5-12-8(6(4-10)13-7)11-2-1-3-14/h5,14H,1-3H2,(H,11,12)
InChIKeyFOXTVVJYHNLCEC-UHFFFAOYSA-N
XLogP0.28
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Propylamino)pyrazine-2,5-dicarbonitrile
CID 57396422
3-(Ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215
3-(Butylamino)pyrazine-2,5-dicarbonitrile
CID 57398216
1,2-Dihydropteridin-2-ylmethanol
CID 66794010
3-[3-Hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
CID 71996015
5-[(2,2-Difluoroethyl)amino]pyrazine-2-carbonitrile
CID 86767801
5-(1-Fluoroethylamino)pyrazine-2-carbonitrile
CID 130331425
3-(1,3-Dihydroxypropan-2-ylamino)-6-fluoropyrazine-2-carbonitrile
CID 141389365
5-[[(2R)-3-fluorobutan-2-yl]amino]pyrazine-2-carbonitrile
CID 173942058
5-[[3-(Difluoromethoxy)cyclobutyl]amino]pyrazine-2-carbonitrile
CID 174277737
6-(Isopropylamino)pyrazine-2-carbonitrile
CID 818297
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrazine-2-carbonitrile
CID 62866007

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile (CID 141389362) is 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile is N#Cc1nc(F)cnc1NCCCO.
What is the InChIKey of 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
The InChIKey is FOXTVVJYHNLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c9-7-5-12-8(6(4-10)13-7)11-2-1-3-14/h5,14H,1-3H2,(H,11,12).
What are the key properties of 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile has a molecular weight of 196.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-hydroxypropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 141389362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).