2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one

C12H17N3O — CID 121384025

IUPAC2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one
SMILESCC(C)c1cnc2c(n1)C(C(C)C)C(=O)N2
InChIInChI=1S/C12H17N3O/c1-6(2)8-5-13-11-10(14-8)9(7(3)4)12(16)15-11/h5-7,9H,1-4H3,(H,13,15,16)
InChIKeyLWDDGAYZOHBFAF-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.29
Rot. Bonds2

About 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one

2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one (PubChem CID 121384025) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one
PubChem CID121384025
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one
SMILESCC(C)c1cnc2c(n1)C(C(C)C)C(=O)N2
InChIInChI=1S/C12H17N3O/c1-6(2)8-5-13-11-10(14-8)9(7(3)4)12(16)15-11/h5-7,9H,1-4H3,(H,13,15,16)
InChIKeyLWDDGAYZOHBFAF-UHFFFAOYSA-N
XLogP2.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one?
The IUPAC name of 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one (CID 121384025) is 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one.
What is the SMILES notation for 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one?
The canonical SMILES for 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one is CC(C)c1cnc2c(n1)C(C(C)C)C(=O)N2.
What is the InChIKey of 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one?
The InChIKey is LWDDGAYZOHBFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-6(2)8-5-13-11-10(14-8)9(7(3)4)12(16)15-11/h5-7,9H,1-4H3,(H,13,15,16).
What are the key properties of 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one?
2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one has a molecular weight of 219.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one is sourced from PubChem (CID 121384025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).