4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H24N4O — CID 66242783

IUPAC4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)Oc1cncc(N2CC3CNCC3C2(C)C)n1
InChIInChI=1S/C15H24N4O/c1-10(2)20-14-8-17-7-13(18-14)19-9-11-5-16-6-12(11)15(19,3)4/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyNYKVSWFAJHQZBE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds3

About 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66242783) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66242783
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)Oc1cncc(N2CC3CNCC3C2(C)C)n1
InChIInChI=1S/C15H24N4O/c1-10(2)20-14-8-17-7-13(18-14)19-9-11-5-16-6-12(11)15(19,3)4/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyNYKVSWFAJHQZBE-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66242783) is 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)Oc1cncc(N2CC3CNCC3C2(C)C)n1.
What is the InChIKey of 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NYKVSWFAJHQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)20-14-8-17-7-13(18-14)19-9-11-5-16-6-12(11)15(19,3)4/h7-8,10-12,16H,5-6,9H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 276.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(6-propan-2-yloxypyrazin-2-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66242783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).