1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole

C10H15N3 — CID 63034548

IUPAC1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole
SMILESC1CCc2c(nc3n2CCNC3)C1
InChIInChI=1S/C10H15N3/c1-2-4-9-8(3-1)12-10-7-11-5-6-13(9)10/h11H,1-7H2
InChIKeyMPHXLYMLFSCIFW-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.87
Rot. Bonds

About 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole

1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole (PubChem CID 63034548) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole
PubChem CID63034548
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole
SMILESC1CCc2c(nc3n2CCNC3)C1
InChIInChI=1S/C10H15N3/c1-2-4-9-8(3-1)12-10-7-11-5-6-13(9)10/h11H,1-7H2
InChIKeyMPHXLYMLFSCIFW-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole?
The IUPAC name of 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole (CID 63034548) is 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole?
The canonical SMILES for 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole is C1CCc2c(nc3n2CCNC3)C1.
What is the InChIKey of 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole?
The InChIKey is MPHXLYMLFSCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-4-9-8(3-1)12-10-7-11-5-6-13(9)10/h11H,1-7H2.
What are the key properties of 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole?
1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole has a molecular weight of 177.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 63034548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).