3,6-bis(furan-2-yl)-1,2,4,5-tetrazine

C10H6N4O2 — CID 2554659

IUPAC3,6-bis(furan-2-yl)-1,2,4,5-tetrazine
SMILESc1coc(-c2nnc(-c3ccco3)nn2)c1
InChIInChI=1S/C10H6N4O2/c1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8/h1-6H
InChIKeyWBVSZPHBBYURDY-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.79
Rot. Bonds2

About 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine

3,6-bis(furan-2-yl)-1,2,4,5-tetrazine (PubChem CID 2554659) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(furan-2-yl)-1,2,4,5-tetrazine
PubChem CID2554659
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name3,6-bis(furan-2-yl)-1,2,4,5-tetrazine
SMILESc1coc(-c2nnc(-c3ccco3)nn2)c1
InChIInChI=1S/C10H6N4O2/c1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8/h1-6H
InChIKeyWBVSZPHBBYURDY-UHFFFAOYSA-N
XLogP1.79
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine (CID 2554659) is 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine is c1coc(-c2nnc(-c3ccco3)nn2)c1.
What is the InChIKey of 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine?
The InChIKey is WBVSZPHBBYURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8/h1-6H.
What are the key properties of 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine?
3,6-bis(furan-2-yl)-1,2,4,5-tetrazine has a molecular weight of 214.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(furan-2-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 2554659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).