5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile

C12H16N4O — CID 156846936

IUPAC5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(O)CNc1nc(C2CC2)cnc1C#N
InChIInChI=1S/C12H16N4O/c1-12(2,17)7-15-11-9(5-13)14-6-10(16-11)8-3-4-8/h6,8,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDWKCDVHPLMZBBO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.41
Rot. Bonds4

About 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile

5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile (PubChem CID 156846936) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
PubChem CID156846936
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(O)CNc1nc(C2CC2)cnc1C#N
InChIInChI=1S/C12H16N4O/c1-12(2,17)7-15-11-9(5-13)14-6-10(16-11)8-3-4-8/h6,8,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDWKCDVHPLMZBBO-UHFFFAOYSA-N
XLogP1.41
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile (CID 156846936) is 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile is CC(C)(O)CNc1nc(C2CC2)cnc1C#N.
What is the InChIKey of 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
The InChIKey is DWKCDVHPLMZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,17)7-15-11-9(5-13)14-6-10(16-11)8-3-4-8/h6,8,17H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile?
5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 156846936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).