5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile

C13H17N5 — CID 66243188

IUPAC5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
SMILESCC1(C)C2CNCC2CN1c1cnc(C#N)cn1
InChIInChI=1S/C13H17N5/c1-13(2)11-6-15-4-9(11)8-18(13)12-7-16-10(3-14)5-17-12/h5,7,9,11,15H,4,6,8H2,1-2H3
InChIKeyUWYKKGKFXURIHK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.78
Rot. Bonds1

About 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile

5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile (PubChem CID 66243188) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
PubChem CID66243188
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
SMILESCC1(C)C2CNCC2CN1c1cnc(C#N)cn1
InChIInChI=1S/C13H17N5/c1-13(2)11-6-15-4-9(11)8-18(13)12-7-16-10(3-14)5-17-12/h5,7,9,11,15H,4,6,8H2,1-2H3
InChIKeyUWYKKGKFXURIHK-UHFFFAOYSA-N
XLogP0.78
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)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 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile (CID 66243188) is 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile is CC1(C)C2CNCC2CN1c1cnc(C#N)cn1.
What is the InChIKey of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile?
The InChIKey is UWYKKGKFXURIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-13(2)11-6-15-4-9(11)8-18(13)12-7-16-10(3-14)5-17-12/h5,7,9,11,15H,4,6,8H2,1-2H3.
What are the key properties of 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile?
5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 66243188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).