3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile

C9H12N4O — CID 62672692

IUPAC3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(CO)Nc1nccnc1C#N
InChIInChI=1S/C9H12N4O/c1-9(2,6-14)13-8-7(5-10)11-3-4-12-8/h3-4,14H,6H2,1-2H3,(H,12,13)
InChIKeyORERQJVEGACRMU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.53
Rot. Bonds3

About 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile

3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile (PubChem CID 62672692) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile
PubChem CID62672692
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile
SMILESCC(C)(CO)Nc1nccnc1C#N
InChIInChI=1S/C9H12N4O/c1-9(2,6-14)13-8-7(5-10)11-3-4-12-8/h3-4,14H,6H2,1-2H3,(H,12,13)
InChIKeyORERQJVEGACRMU-UHFFFAOYSA-N
XLogP0.53
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile (CID 62672692) is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile is CC(C)(CO)Nc1nccnc1C#N.
What is the InChIKey of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is ORERQJVEGACRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-9(2,6-14)13-8-7(5-10)11-3-4-12-8/h3-4,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile?
3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62672692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).