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

C11H17N5O — CID 113320120

IUPAC3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
SMILESCN(C)CC(C)(O)CNc1nccnc1C#N
InChIInChI=1S/C11H17N5O/c1-11(17,8-16(2)3)7-15-10-9(6-12)13-4-5-14-10/h4-5,17H,7-8H2,1-3H3,(H,14,15)
InChIKeyYLKPIUHZMVSUHU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.07
Rot. Bonds5

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

3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile (PubChem CID 113320120) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
PubChem CID113320120
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
SMILESCN(C)CC(C)(O)CNc1nccnc1C#N
InChIInChI=1S/C11H17N5O/c1-11(17,8-16(2)3)7-15-10-9(6-12)13-4-5-14-10/h4-5,17H,7-8H2,1-3H3,(H,14,15)
InChIKeyYLKPIUHZMVSUHU-UHFFFAOYSA-N
XLogP0.07
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile (CID 113320120) is 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile is CN(C)CC(C)(O)CNc1nccnc1C#N.
What is the InChIKey of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile?
The InChIKey is YLKPIUHZMVSUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(17,8-16(2)3)7-15-10-9(6-12)13-4-5-14-10/h4-5,17H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile?
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 113320120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).