(E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine

C11H10N8 — CID 5396294

IUPAC(E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N\n1cnnc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H10N8/c1-9(15-18-6-12-13-7-18)10-2-4-11(5-3-10)19-8-14-16-17-19/h2-8H,1H3/b15-9+
InChIKeyHVXMXIMYQOKNPS-OQLLNIDSSA-N
MW254.26 g/mol
LogP0.53
Rot. Bonds3

About (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine

(E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine (PubChem CID 5396294) has the molecular formula C11H10N8 and a molecular weight of 254.26 g/mol. Its IUPAC name is (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine
PubChem CID5396294
Molecular FormulaC11H10N8
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name(E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N\n1cnnc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H10N8/c1-9(15-18-6-12-13-7-18)10-2-4-11(5-3-10)19-8-14-16-17-19/h2-8H,1H3/b15-9+
InChIKeyHVXMXIMYQOKNPS-OQLLNIDSSA-N
XLogP0.53
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine (CID 5396294) is (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine is C/C(=N\n1cnnc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine?
The InChIKey is HVXMXIMYQOKNPS-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H10N8/c1-9(15-18-6-12-13-7-18)10-2-4-11(5-3-10)19-8-14-16-17-19/h2-8H,1H3/b15-9+.
What are the key properties of (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine?
(E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine has a molecular weight of 254.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(tetrazol-1-yl)phenyl]-N-(1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 5396294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).