1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile

C11H8N6 — CID 933055

IUPAC1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(N)c2nc3ccccc3nc12
InChIInChI=1S/C11H8N6/c12-5-6-9-11(17(14)10(6)13)16-8-4-2-1-3-7(8)15-9/h1-4H,13-14H2
InChIKeyOUOYFZIIKUVTQG-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.75
Rot. Bonds

About 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile

1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 933055) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID933055
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(N)c2nc3ccccc3nc12
InChIInChI=1S/C11H8N6/c12-5-6-9-11(17(14)10(6)13)16-8-4-2-1-3-7(8)15-9/h1-4H,13-14H2
InChIKeyOUOYFZIIKUVTQG-UHFFFAOYSA-N
XLogP0.75
TPSA106.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 933055) is 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(N)c2nc3ccccc3nc12.
What is the InChIKey of 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is OUOYFZIIKUVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c12-5-6-9-11(17(14)10(6)13)16-8-4-2-1-3-7(8)15-9/h1-4H,13-14H2.
What are the key properties of 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile?
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 224.23 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 933055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).