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

C12H9N3O3 — CID 3053067

IUPAC5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine
SMILESCOc1nnc(-c2ccco2)c(-c2ccco2)n1
InChIInChI=1S/C12H9N3O3/c1-16-12-13-10(8-4-2-6-17-8)11(14-15-12)9-5-3-7-18-9/h2-7H,1H3
InChIKeyMSFXGHZOLNZPDL-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.40
Rot. Bonds3

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

5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine (PubChem CID 3053067) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine
PubChem CID3053067
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine
SMILESCOc1nnc(-c2ccco2)c(-c2ccco2)n1
InChIInChI=1S/C12H9N3O3/c1-16-12-13-10(8-4-2-6-17-8)11(14-15-12)9-5-3-7-18-9/h2-7H,1H3
InChIKeyMSFXGHZOLNZPDL-UHFFFAOYSA-N
XLogP2.40
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine (CID 3053067) is 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine is COc1nnc(-c2ccco2)c(-c2ccco2)n1.
What is the InChIKey of 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine?
The InChIKey is MSFXGHZOLNZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-16-12-13-10(8-4-2-6-17-8)11(14-15-12)9-5-3-7-18-9/h2-7H,1H3.
What are the key properties of 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine?
5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine has a molecular weight of 243.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(furan-2-yl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).