3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile

C11H16N4 — CID 104828363

IUPAC3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
SMILESCC(Nc1nccnc1C#N)C(C)(C)C
InChIInChI=1S/C11H16N4/c1-8(11(2,3)4)15-10-9(7-12)13-5-6-14-10/h5-6,8H,1-4H3,(H,14,15)
InChIKeyVJJLZZZGWWARFV-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.19
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile

3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile (PubChem CID 104828363) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
PubChem CID104828363
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
SMILESCC(Nc1nccnc1C#N)C(C)(C)C
InChIInChI=1S/C11H16N4/c1-8(11(2,3)4)15-10-9(7-12)13-5-6-14-10/h5-6,8H,1-4H3,(H,14,15)
InChIKeyVJJLZZZGWWARFV-UHFFFAOYSA-N
XLogP2.19
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,3-dimethylbutan-2-ylamino)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-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile (CID 104828363) is 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile is CC(Nc1nccnc1C#N)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile?
The InChIKey is VJJLZZZGWWARFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(11(2,3)4)15-10-9(7-12)13-5-6-14-10/h5-6,8H,1-4H3,(H,14,15).
What are the key properties of 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile?
3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 104828363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).