6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid

C11H11N3O2 — CID 65130930

IUPAC6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid
SMILESO=C(O)c1nccn2c3c(nc12)CCCC3
InChIInChI=1S/C11H11N3O2/c15-11(16)9-10-13-7-3-1-2-4-8(7)14(10)6-5-12-9/h5-6H,1-4H2,(H,15,16)
InChIKeyYXLGARDJHBGEEJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.31
Rot. Bonds1

About 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid

6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid (PubChem CID 65130930) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid
PubChem CID65130930
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid
SMILESO=C(O)c1nccn2c3c(nc12)CCCC3
InChIInChI=1S/C11H11N3O2/c15-11(16)9-10-13-7-3-1-2-4-8(7)14(10)6-5-12-9/h5-6H,1-4H2,(H,15,16)
InChIKeyYXLGARDJHBGEEJ-UHFFFAOYSA-N
XLogP1.31
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid?
The IUPAC name of 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid (CID 65130930) is 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid.
What is the SMILES notation for 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid?
The canonical SMILES for 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid is O=C(O)c1nccn2c3c(nc12)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid?
The InChIKey is YXLGARDJHBGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)9-10-13-7-3-1-2-4-8(7)14(10)6-5-12-9/h5-6H,1-4H2,(H,15,16).
What are the key properties of 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid?
6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole-1-carboxylic acid is sourced from PubChem (CID 65130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).