2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one

C9H6BrN5O — CID 168786975

IUPAC2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1NCc2nn(-c3cnc(Br)cn3)cc21
InChIInChI=1S/C9H6BrN5O/c10-7-2-12-8(3-11-7)15-4-5-6(14-15)1-13-9(5)16/h2-4H,1H2,(H,13,16)
InChIKeyQWXOJHUCKOLVRD-UHFFFAOYSA-N
MW280.08 g/mol
LogP0.67
Rot. Bonds1

About 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one

2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168786975) has the molecular formula C9H6BrN5O and a molecular weight of 280.08 g/mol. Its IUPAC name is 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
PubChem CID168786975
Molecular FormulaC9H6BrN5O
Molecular Weight280.08 g/mol
Exact Mass278.98
IUPAC Name2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1NCc2nn(-c3cnc(Br)cn3)cc21
InChIInChI=1S/C9H6BrN5O/c10-7-2-12-8(3-11-7)15-4-5-6(14-15)1-13-9(5)16/h2-4H,1H2,(H,13,16)
InChIKeyQWXOJHUCKOLVRD-UHFFFAOYSA-N
XLogP0.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one (CID 168786975) is 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one is O=C1NCc2nn(-c3cnc(Br)cn3)cc21.
What is the InChIKey of 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is QWXOJHUCKOLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5O/c10-7-2-12-8(3-11-7)15-4-5-6(14-15)1-13-9(5)16/h2-4H,1H2,(H,13,16).
What are the key properties of 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 280.08 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168786975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).