(E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C13H16N4O2 — CID 5342674

IUPAC(E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1
InChIInChI=1S/C13H16N4O2/c1-9-15-16-10(2)17(9)14-8-11-5-6-12(18-3)7-13(11)19-4/h5-8H,1-4H3/b14-8+
InChIKeyIDHKQGBROGTAMJ-RIYZIHGNSA-N
MW260.30 g/mol
LogP1.79
Rot. Bonds4

About (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

(E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 5342674) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID5342674
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1
InChIInChI=1S/C13H16N4O2/c1-9-15-16-10(2)17(9)14-8-11-5-6-12(18-3)7-13(11)19-4/h5-8H,1-4H3/b14-8+
InChIKeyIDHKQGBROGTAMJ-RIYZIHGNSA-N
XLogP1.79
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 5342674) is (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is COc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1.
What is the InChIKey of (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is IDHKQGBROGTAMJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-15-16-10(2)17(9)14-8-11-5-6-12(18-3)7-13(11)19-4/h5-8H,1-4H3/b14-8+.
What are the key properties of (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
(E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 260.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dimethoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5342674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).