5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C12H18N4 — CID 66210482

IUPAC5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCc1cnc(C)c(N2CC3CNCC3C2)n1
InChIInChI=1S/C12H18N4/c1-8-3-14-9(2)12(15-8)16-6-10-4-13-5-11(10)7-16/h3,10-11,13H,4-7H2,1-2H3
InChIKeyYWBPIMJEMXKKHO-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.75
Rot. Bonds1

About 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66210482) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66210482
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCc1cnc(C)c(N2CC3CNCC3C2)n1
InChIInChI=1S/C12H18N4/c1-8-3-14-9(2)12(15-8)16-6-10-4-13-5-11(10)7-16/h3,10-11,13H,4-7H2,1-2H3
InChIKeyYWBPIMJEMXKKHO-UHFFFAOYSA-N
XLogP0.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66210482) is 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is Cc1cnc(C)c(N2CC3CNCC3C2)n1.
What is the InChIKey of 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is YWBPIMJEMXKKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-3-14-9(2)12(15-8)16-6-10-4-13-5-11(10)7-16/h3,10-11,13H,4-7H2,1-2H3.
What are the key properties of 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 218.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethylpyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66210482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).