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

C16H14N4O — CID 5334893

IUPAC(E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-2-4-15(5-3-1)11-21-16-8-6-14(7-9-16)10-19-20-12-17-18-13-20/h1-10,12-13H,11H2/b19-10+
InChIKeyWWOGBFTYJYMQHT-VXLYETTFSA-N
MW278.32 g/mol
LogP2.74
Rot. Bonds5

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

(E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5334893) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5334893
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name(E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-2-4-15(5-3-1)11-21-16-8-6-14(7-9-16)10-19-20-12-17-18-13-20/h1-10,12-13H,11H2/b19-10+
InChIKeyWWOGBFTYJYMQHT-VXLYETTFSA-N
XLogP2.74
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-4-((4H-1,2,4-triazol-4-ylimino)methyl)phenol
CID 135449248
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-benzylphenoxy)ethyl]-1H-1,2,4-triazole
CID 976124
1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
CID 976289
1-[3-(4-Phenylphenoxy)propyl]-1,2,4-triazole
CID 2199160
1-{2-[2-(4-biphenylyloxy)ethoxy]ethyl}-1H-1,2,4-triazole
CID 2199683
1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-
CID 2199997
3-[4-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)phenoxy]thietane
CID 5341486
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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5334893) is (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is WWOGBFTYJYMQHT-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-4-15(5-3-1)11-21-16-8-6-14(7-9-16)10-19-20-12-17-18-13-20/h1-10,12-13H,11H2/b19-10+.
What are the key properties of (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 278.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5334893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).