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

C7H6N4S — CID 6858577

IUPAC(E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccs1
InChIInChI=1S/C7H6N4S/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H/b10-4+
InChIKeyPJAGEXMIPIJTKK-ONNFQVAWSA-N
MW178.22 g/mol
LogP1.22
Rot. Bonds2

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

(E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858577) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858577
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name(E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccs1
InChIInChI=1S/C7H6N4S/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H/b10-4+
InChIKeyPJAGEXMIPIJTKK-ONNFQVAWSA-N
XLogP1.22
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.22
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-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine (CID 6858577) is (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1cccs1.
What is the InChIKey of (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is PJAGEXMIPIJTKK-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H6N4S/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-6H/b10-4+.
What are the key properties of (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 178.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-thiophen-2-yl-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).