1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole

C17H15N7O3 — CID 72935472

About 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole

1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole (PubChem CID 72935472) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole.

Molecular Properties

• Compound Name: 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole
• PubChem CID: 72935472
• Molecular Formula: C17H15N7O3
• Molecular Weight: 365.35 g/mol
• Exact Mass: 365.12
• IUPAC Name: 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole
• SMILES: c1coc(-c2nc(CCn3cnnn3)n(-c3ccc4c(c3)OCCO4)n2)c1
• InChI: InChI=1S/C17H15N7O3/c1-2-14(25-7-1)17-19-16(5-6-23-11-18-21-22-23)24(20-17)12-3-4-13-15(10-12)27-9-8-26-13/h1-4,7,10-11H,5-6,8-9H2
• InChIKey: JSFBFNJRRVOOAC-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 105.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.35
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?

The IUPAC name of 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole (CID 72935472) is 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole.

What is the SMILES notation for 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?

The canonical SMILES for 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole is c1coc(-c2nc(CCn3cnnn3)n(-c3ccc4c(c3)OCCO4)n2)c1.

What is the InChIKey of 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?

The InChIKey is JSFBFNJRRVOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c1-2-14(25-7-1)17-19-16(5-6-23-11-18-21-22-23)24(20-17)12-3-4-13-15(10-12)27-9-8-26-13/h1-4,7,10-11H,5-6,8-9H2.

What are the key properties of 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole?

1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole has a molecular weight of 365.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole is sourced from PubChem (CID 72935472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).