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

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Related Compounds

3-(3-methylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 62672516
3-(2-methylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 62673067
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carbonitrile
CID 62672692
3-(3-ethylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 65043823
2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
CID 62673065
3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile
CID 62673239
3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methylamino]pyrazine-2-carbonitrile
CID 75483901
3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62673071
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
3-(2,2-dimethylhydrazinyl)pyrazine-2-carbonitrile
CID 83016253
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136

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).