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

C14H18N4O3 — CID 5342761

IUPAC(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1OC
InChIInChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-11-6-7-12(19-3)14(21-5)13(11)20-4/h6-8H,1-5H3/b15-8+
InChIKeySDLGOGDLXMMPSF-OVCLIPMQSA-N
MW290.32 g/mol
LogP1.80
Rot. Bonds5

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

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine (PubChem CID 5342761) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
PubChem CID5342761
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1OC
InChIInChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-11-6-7-12(19-3)14(21-5)13(11)20-4/h6-8H,1-5H3/b15-8+
InChIKeySDLGOGDLXMMPSF-OVCLIPMQSA-N
XLogP1.80
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine (CID 5342761) is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine is COc1ccc(/C=N/n2c(C)nnc2C)c(OC)c1OC.
What is the InChIKey of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
The InChIKey is SDLGOGDLXMMPSF-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-11-6-7-12(19-3)14(21-5)13(11)20-4/h6-8H,1-5H3/b15-8+.
What are the key properties of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine?
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine has a molecular weight of 290.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanimine is sourced from PubChem (CID 5342761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).