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

C17H16N4O2 — CID 6860749

IUPAC(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2cnnc2)cc1OCc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-22-16-8-7-15(10-20-21-12-18-19-13-21)9-17(16)23-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3/b20-10+
InChIKeySWUQWAWJLJKDLH-KEBDBYFISA-N
MW308.34 g/mol
LogP2.75
Rot. Bonds6

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

(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6860749) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6860749
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCOc1ccc(/C=N/n2cnnc2)cc1OCc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-22-16-8-7-15(10-20-21-12-18-19-13-21)9-17(16)23-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3/b20-10+
InChIKeySWUQWAWJLJKDLH-KEBDBYFISA-N
XLogP2.75
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.75
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-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6860749) is (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is COc1ccc(/C=N/n2cnnc2)cc1OCc1ccccc1.
What is the InChIKey of (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is SWUQWAWJLJKDLH-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-16-8-7-15(10-20-21-12-18-19-13-21)9-17(16)23-11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3/b20-10+.
What are the key properties of (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 308.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxy-3-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6860749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).