(E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C7H4Br2N4O — CID 6900725

IUPAC(E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESBrc1cc(/C=N/n2cnnc2)oc1Br
InChIInChI=1S/C7H4Br2N4O/c8-6-1-5(14-7(6)9)2-12-13-3-10-11-4-13/h1-4H/b12-2+
InChIKeyRCIBPBAYIWCVLA-SWGQDTFXSA-N
MW319.94 g/mol
LogP2.28
Rot. Bonds2

About (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6900725) has the molecular formula C7H4Br2N4O and a molecular weight of 319.94 g/mol. Its IUPAC name is (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6900725
Molecular FormulaC7H4Br2N4O
Molecular Weight319.94 g/mol
Exact Mass317.88
IUPAC Name(E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESBrc1cc(/C=N/n2cnnc2)oc1Br
InChIInChI=1S/C7H4Br2N4O/c8-6-1-5(14-7(6)9)2-12-13-3-10-11-4-13/h1-4H/b12-2+
InChIKeyRCIBPBAYIWCVLA-SWGQDTFXSA-N
XLogP2.28
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.94
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6900725) is (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is Brc1cc(/C=N/n2cnnc2)oc1Br.
What is the InChIKey of (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is RCIBPBAYIWCVLA-SWGQDTFXSA-N. The full InChI is InChI=1S/C7H4Br2N4O/c8-6-1-5(14-7(6)9)2-12-13-3-10-11-4-13/h1-4H/b12-2+.
What are the key properties of (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 319.94 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4,5-dibromofuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6900725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).