(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine

C8H8N4O — CID 5410318

IUPAC(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N\n1cnnc1)c1ccco1
InChIInChI=1S/C8H8N4O/c1-7(8-3-2-4-13-8)11-12-5-9-10-6-12/h2-6H,1H3/b11-7+
InChIKeySDYSOEVDUHATRW-YRNVUSSQSA-N
MW176.18 g/mol
LogP1.14
Rot. Bonds2

About (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine

(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine (PubChem CID 5410318) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine
PubChem CID5410318
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N\n1cnnc1)c1ccco1
InChIInChI=1S/C8H8N4O/c1-7(8-3-2-4-13-8)11-12-5-9-10-6-12/h2-6H,1H3/b11-7+
InChIKeySDYSOEVDUHATRW-YRNVUSSQSA-N
XLogP1.14
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.14
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-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine (CID 5410318) is (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine is C/C(=N\n1cnnc1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine?
The InChIKey is SDYSOEVDUHATRW-YRNVUSSQSA-N. The full InChI is InChI=1S/C8H8N4O/c1-7(8-3-2-4-13-8)11-12-5-9-10-6-12/h2-6H,1H3/b11-7+.
What are the key properties of (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine?
(E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine has a molecular weight of 176.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-(1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 5410318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).