3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one

C10H13N3O — CID 58044127

IUPAC3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one
SMILESO=C1NCCn2c1nc1c2CCCC1
InChIInChI=1S/C10H13N3O/c14-10-9-12-7-3-1-2-4-8(7)13(9)6-5-11-10/h1-6H2,(H,11,14)
InChIKeyAMEUZJZEGIBZHB-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.51
Rot. Bonds

About 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one

3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one (PubChem CID 58044127) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one
PubChem CID58044127
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one
SMILESO=C1NCCn2c1nc1c2CCCC1
InChIInChI=1S/C10H13N3O/c14-10-9-12-7-3-1-2-4-8(7)13(9)6-5-11-10/h1-6H2,(H,11,14)
InChIKeyAMEUZJZEGIBZHB-UHFFFAOYSA-N
XLogP0.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one?
The IUPAC name of 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one (CID 58044127) is 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one?
The canonical SMILES for 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one is O=C1NCCn2c1nc1c2CCCC1.
What is the InChIKey of 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one?
The InChIKey is AMEUZJZEGIBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-9-12-7-3-1-2-4-8(7)13(9)6-5-11-10/h1-6H2,(H,11,14).
What are the key properties of 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one?
3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one has a molecular weight of 191.23 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9-hexahydro-2H-pyrazino[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 58044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).