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

C13H17N3 — CID 104573648

IUPAC7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole
SMILESCCCC1CCc2nc3cnccn3c2C1
InChIInChI=1S/C13H17N3/c1-2-3-10-4-5-11-12(8-10)16-7-6-14-9-13(16)15-11/h6-7,9-10H,2-5,8H2,1H3
InChIKeyVPONYWPBVUMZPN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds2

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

7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole (PubChem CID 104573648) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole
PubChem CID104573648
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole
SMILESCCCC1CCc2nc3cnccn3c2C1
InChIInChI=1S/C13H17N3/c1-2-3-10-4-5-11-12(8-10)16-7-6-14-9-13(16)15-11/h6-7,9-10H,2-5,8H2,1H3
InChIKeyVPONYWPBVUMZPN-UHFFFAOYSA-N
XLogP2.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole?
The IUPAC name of 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole (CID 104573648) is 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole?
The canonical SMILES for 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole is CCCC1CCc2nc3cnccn3c2C1.
What is the InChIKey of 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole?
The InChIKey is VPONYWPBVUMZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-3-10-4-5-11-12(8-10)16-7-6-14-9-13(16)15-11/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole?
7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-6,7,8,9-tetrahydropyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 104573648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).