7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one

C13H18N4O — CID 86694149

IUPAC7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one
SMILESCC1(C)C(=O)N(C2CCNCC2)c2nccnc21
InChIInChI=1S/C13H18N4O/c1-13(2)10-11(16-8-7-15-10)17(12(13)18)9-3-5-14-6-4-9/h7-9,14H,3-6H2,1-2H3
InChIKeyMHEZURSTBVGRDF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.85
Rot. Bonds1

About 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one

7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one (PubChem CID 86694149) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one
PubChem CID86694149
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one
SMILESCC1(C)C(=O)N(C2CCNCC2)c2nccnc21
InChIInChI=1S/C13H18N4O/c1-13(2)10-11(16-8-7-15-10)17(12(13)18)9-3-5-14-6-4-9/h7-9,14H,3-6H2,1-2H3
InChIKeyMHEZURSTBVGRDF-UHFFFAOYSA-N
XLogP0.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one?
The IUPAC name of 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one (CID 86694149) is 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one?
The canonical SMILES for 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one is CC1(C)C(=O)N(C2CCNCC2)c2nccnc21.
What is the InChIKey of 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one?
The InChIKey is MHEZURSTBVGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2)10-11(16-8-7-15-10)17(12(13)18)9-3-5-14-6-4-9/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one?
7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one has a molecular weight of 246.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-piperidin-4-ylpyrrolo[2,3-b]pyrazin-6-one is sourced from PubChem (CID 86694149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).