3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile

C11H16N4O — CID 107199606

IUPAC3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(CCCCCO)c1nccnc1C#N
InChIInChI=1S/C11H16N4O/c1-15(7-3-2-4-8-16)11-10(9-12)13-5-6-14-11/h5-6,16H,2-4,7-8H2,1H3
InChIKeyOVHUKNYKXFGXMV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds6

About 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile

3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile (PubChem CID 107199606) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile
PubChem CID107199606
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile
SMILESCN(CCCCCO)c1nccnc1C#N
InChIInChI=1S/C11H16N4O/c1-15(7-3-2-4-8-16)11-10(9-12)13-5-6-14-11/h5-6,16H,2-4,7-8H2,1H3
InChIKeyOVHUKNYKXFGXMV-UHFFFAOYSA-N
XLogP0.95
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1-Hydroxybutan-2-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 71995894
3-[3-Hydroxybutyl(methyl)amino]pyrazine-2-carbonitrile
CID 71996015
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 91648275
3-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 136581157
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
CID 107479569
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carbonitrile
CID 113964308
5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 128979489
3-[4-[3-(Dimethylamino)propoxy]piperidin-1-yl]pyrazine-2-carbonitrile
CID 72105909
[(2S)-1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 132469564
(+/-)-3-[(6R,8aS)-6-(hydroxymethyl)hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]pyrazin e-2-carbonitrile
CID 58812242
3-(3-Hydroxypropylamino)pyrazine-2-carbonitrile
CID 62672165
3-[Bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile
CID 141144595

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile (CID 107199606) is 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile is CN(CCCCCO)c1nccnc1C#N.
What is the InChIKey of 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile?
The InChIKey is OVHUKNYKXFGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(7-3-2-4-8-16)11-10(9-12)13-5-6-14-11/h5-6,16H,2-4,7-8H2,1H3.
What are the key properties of 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile?
3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 107199606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).