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

C11H12N4O2 — CID 5331185

IUPAC(E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2cnnc2)c(OC)c1
InChIInChI=1S/C11H12N4O2/c1-16-10-4-3-9(11(5-10)17-2)6-14-15-7-12-13-8-15/h3-8H,1-2H3/b14-6+
InChIKeyFXHSNCBDTMOVKY-MKMNVTDBSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds4

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

(E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5331185) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5331185
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2cnnc2)c(OC)c1
InChIInChI=1S/C11H12N4O2/c1-16-10-4-3-9(11(5-10)17-2)6-14-15-7-12-13-8-15/h3-8H,1-2H3/b14-6+
InChIKeyFXHSNCBDTMOVKY-MKMNVTDBSA-N
XLogP1.18
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-N-(2,4,6-trimethoxybenzylidene)-4H-1,2,4-triazol-4-amine
CID 5347710
N-[(2,7-dimethoxy-1-naphthyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858676
N-[(E)-(2,4-dimethoxyphenyl)methylidene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5342674
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
N-[(E)-(4-methoxyphenyl)methylidene]-3-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-4-amine
CID 6882260
(E)-1-[3-[2-(3-Methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6897840
4H-1,2,4-Triazol-4-amine, N-[(2-methoxyphenyl)methylene]-
CID 5337603
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859134
1,2,4-Triazole, 4-(3,4,5-trimethoxybenzylidenamino)-
CID 5332250
N-{(E)-[4-(benzyloxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5334893
N-[(1Z)-1-(4-methoxyphenyl)ethylidene]-4H-1,2,4-triazol-4-amine
CID 5933759
N-{(E)-[2-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6894661

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5331185) is (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc(/C=N/n2cnnc2)c(OC)c1.
What is the InChIKey of (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is FXHSNCBDTMOVKY-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-16-10-4-3-9(11(5-10)17-2)6-14-15-7-12-13-8-15/h3-8H,1-2H3/b14-6+.
What are the key properties of (E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(2,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 232.24 g/mol, XLogP of 1.18, 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-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5331185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).