(E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C17H16N4O2 — CID 6894661

IUPAC(E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-2-7-16(8-3-1)22-10-11-23-17-9-5-4-6-15(17)12-20-21-13-18-19-14-21/h1-9,12-14H,10-11H2/b20-12+
InChIKeySYXYVMYQTPAUFA-UDWIEESQSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds7

About (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6894661) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6894661
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C17H16N4O2/c1-2-7-16(8-3-1)22-10-11-23-17-9-5-4-6-15(17)12-20-21-13-18-19-14-21/h1-9,12-14H,10-11H2/b20-12+
InChIKeySYXYVMYQTPAUFA-UDWIEESQSA-N
XLogP2.62
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{(E)-[3-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5343621
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 6858631
1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
CID 976289
1-{2-[2-(4-biphenylyloxy)ethoxy]ethyl}-1H-1,2,4-triazole
CID 2199683
1-(2-{2-[4-(benzyloxy)phenoxy]ethoxy}ethyl)-1H-1,2,4-triazole
CID 2199936
1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-
CID 2199997
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349808
N-[4-(1-naphthylmethoxy)benzylidene]-4H-1,2,4-triazol-4-amine
CID 5349906
N-[(E)-(3-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5350331
N-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-4H-1,2,4-triazol-4-amine
CID 6858398
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858836

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 6894661) is (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccccc1OCCOc1ccccc1.
What is the InChIKey of (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is SYXYVMYQTPAUFA-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-7-16(8-3-1)22-10-11-23-17-9-5-4-6-15(17)12-20-21-13-18-19-14-21/h1-9,12-14H,10-11H2/b20-12+.
What are the key properties of (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 308.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6894661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).