(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine

C13H16N4O — CID 6290071

IUPAC(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/C=N\n2c(C)nnc2C)cc1
InChIInChI=1S/C13H16N4O/c1-4-18-13-7-5-12(6-8-13)9-14-17-10(2)15-16-11(17)3/h5-9H,4H2,1-3H3/b14-9-
InChIKeyFJQDTQPQJYLNQI-ZROIWOOFSA-N
MW244.30 g/mol
LogP2.18
Rot. Bonds4

About (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine

(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine (PubChem CID 6290071) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine
PubChem CID6290071
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/C=N\n2c(C)nnc2C)cc1
InChIInChI=1S/C13H16N4O/c1-4-18-13-7-5-12(6-8-13)9-14-17-10(2)15-16-11(17)3/h5-9H,4H2,1-3H3/b14-9-
InChIKeyFJQDTQPQJYLNQI-ZROIWOOFSA-N
XLogP2.18
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine 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 (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine (CID 6290071) is (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine is CCOc1ccc(/C=N\n2c(C)nnc2C)cc1.
What is the InChIKey of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine?
The InChIKey is FJQDTQPQJYLNQI-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H16N4O/c1-4-18-13-7-5-12(6-8-13)9-14-17-10(2)15-16-11(17)3/h5-9H,4H2,1-3H3/b14-9-.
What are the key properties of (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine?
(Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine has a molecular weight of 244.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 6290071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).