(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine

C17H16N4O — CID 42935131

IUPAC(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
SMILESC/C(=N\OCc1ccccc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H16N4O/c1-14(20-22-11-15-5-3-2-4-6-15)16-7-9-17(10-8-16)21-13-18-12-19-21/h2-10,12-13H,11H2,1H3/b20-14+
InChIKeyJLWLBWHBLCGJLX-XSFVSMFZSA-N
MW292.34 g/mol
LogP3.21
Rot. Bonds5

About (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine

(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine (PubChem CID 42935131) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
PubChem CID42935131
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
SMILESC/C(=N\OCc1ccccc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H16N4O/c1-14(20-22-11-15-5-3-2-4-6-15)16-7-9-17(10-8-16)21-13-18-12-19-21/h2-10,12-13H,11H2,1H3/b20-14+
InChIKeyJLWLBWHBLCGJLX-XSFVSMFZSA-N
XLogP3.21
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
1-[4-[phenyl(phenylmethoxy)methyl]phenyl]-1,2,4-triazole
CID 14594102
(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine
CID 118974990
(Z)-N-piperidin-1-yl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
CID 75402436
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
N-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 111102425
[(1S)-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 39954822
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
2-methyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 18388799
benzyl N-[3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enyl]carbamate
CID 169472847

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
The IUPAC name of (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine (CID 42935131) is (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
The canonical SMILES for (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine is C/C(=N\OCc1ccccc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
The InChIKey is JLWLBWHBLCGJLX-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H16N4O/c1-14(20-22-11-15-5-3-2-4-6-15)16-7-9-17(10-8-16)21-13-18-12-19-21/h2-10,12-13H,11H2,1H3/b20-14+.
What are the key properties of (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine?
(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine has a molecular weight of 292.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine is sourced from PubChem (CID 42935131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).