(E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C8H8N4S — CID 6858625

IUPAC(E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCc1ccsc1/C=N/n1cnnc1
InChIInChI=1S/C8H8N4S/c1-7-2-3-13-8(7)4-11-12-5-9-10-6-12/h2-6H,1H3/b11-4+
InChIKeyRHWLAJGSMALZQE-NYYWCZLTSA-N
MW192.25 g/mol
LogP1.53
Rot. Bonds2

About (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858625) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858625
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name(E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCc1ccsc1/C=N/n1cnnc1
InChIInChI=1S/C8H8N4S/c1-7-2-3-13-8(7)4-11-12-5-9-10-6-12/h2-6H,1H3/b11-4+
InChIKeyRHWLAJGSMALZQE-NYYWCZLTSA-N
XLogP1.53
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.53
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-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858625) is (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is Cc1ccsc1/C=N/n1cnnc1.
What is the InChIKey of (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is RHWLAJGSMALZQE-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H8N4S/c1-7-2-3-13-8(7)4-11-12-5-9-10-6-12/h2-6H,1H3/b11-4+.
What are the key properties of (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 192.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).