1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine

C17H22N4O2 — CID 97467296

About 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine

1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine (PubChem CID 97467296) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine
• PubChem CID: 97467296
• Molecular Formula: C17H22N4O2
• Molecular Weight: 314.39 g/mol
• Exact Mass: 314.17
• IUPAC Name: 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine
• SMILES: CN(C)Cc1cn2c(n1)CN(Cc1ccc3c(c1)OCO3)CC2
• InChI: InChI=1S/C17H22N4O2/c1-19(2)9-14-10-21-6-5-20(11-17(21)18-14)8-13-3-4-15-16(7-13)23-12-22-15/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3
• InChIKey: YDIZOLBMYSOKBC-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.39
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine (CID 97467296) is 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1cn2c(n1)CN(Cc1ccc3c(c1)OCO3)CC2.

What is the InChIKey of 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine?

The InChIKey is YDIZOLBMYSOKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19(2)9-14-10-21-6-5-20(11-17(21)18-14)8-13-3-4-15-16(7-13)23-12-22-15/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3.

What are the key properties of 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine?

1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 314.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(1,3-benzodioxol-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97467296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).