3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile

C11H16N4O — CID 103705283

IUPAC3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(CCO)CNc1nccnc1C#N
InChIInChI=1S/C11H16N4O/c1-11(2,3-6-16)8-15-10-9(7-12)13-4-5-14-10/h4-5,16H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyVGKFGWBHMDBBHQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.17
Rot. Bonds5

About 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile

3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile (PubChem CID 103705283) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile
PubChem CID103705283
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(CCO)CNc1nccnc1C#N
InChIInChI=1S/C11H16N4O/c1-11(2,3-6-16)8-15-10-9(7-12)13-4-5-14-10/h4-5,16H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyVGKFGWBHMDBBHQ-UHFFFAOYSA-N
XLogP1.17
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile
CID 115306176
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
CID 113320120
3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile
CID 62672692
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
CID 62672173
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol
CID 103705336
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-sulfonamide
CID 133332314

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile (CID 103705283) is 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile is CC(C)(CCO)CNc1nccnc1C#N.
What is the InChIKey of 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile?
The InChIKey is VGKFGWBHMDBBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,3-6-16)8-15-10-9(7-12)13-4-5-14-10/h4-5,16H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile?
3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 103705283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).