3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile

C10H13N3O — CID 59589297

IUPAC3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile
SMILESCC(C)(C)c1ncc(CO)nc1C#N
InChIInChI=1S/C10H13N3O/c1-10(2,3)9-8(4-11)13-7(6-14)5-12-9/h5,14H,6H2,1-3H3
InChIKeyAVKMAGIUMNBVOK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.14
Rot. Bonds1

About 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile

3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile (PubChem CID 59589297) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile
PubChem CID59589297
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile
SMILESCC(C)(C)c1ncc(CO)nc1C#N
InChIInChI=1S/C10H13N3O/c1-10(2,3)9-8(4-11)13-7(6-14)5-12-9/h5,14H,6H2,1-3H3
InChIKeyAVKMAGIUMNBVOK-UHFFFAOYSA-N
XLogP1.14
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-ditert-butyl-3-pyridinyl)methanol
CID 153429822
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane
CID 142334723
2-[[5-(hydroxymethyl)pyrazin-2-yl]-methylamino]ethanol
CID 107372728
2-tert-butyl-5-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carbonitrile
CID 59848736
5-tert-butyl-1,3-thiazole-4-carbonitrile
CID 59589209
2,6-ditert-butylpyridine-3,5-dicarbonitrile
CID 10377050
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
4,5,6-tritert-butylpyridine-2,3-dicarbonitrile
CID 14321567
[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
CID 107372927
3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile
CID 146309052
3-chloro-6-(2-oxoethyl)pyrazine-2-carbonitrile
CID 86647969

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile (CID 59589297) is 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile is CC(C)(C)c1ncc(CO)nc1C#N.
What is the InChIKey of 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile?
The InChIKey is AVKMAGIUMNBVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)9-8(4-11)13-7(6-14)5-12-9/h5,14H,6H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile?
3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(hydroxymethyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 59589297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).