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

C15H12N4O — CID 6858991

IUPAC(E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12N4O/c1-2-6-14(7-3-1)20-15-8-4-5-13(9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10+
InChIKeyUEOWDJAYKPCTHR-VCHYOVAHSA-N
MW264.29 g/mol
LogP2.95
Rot. Bonds4

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

(E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858991) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858991
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H12N4O/c1-2-6-14(7-3-1)20-15-8-4-5-13(9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10+
InChIKeyUEOWDJAYKPCTHR-VCHYOVAHSA-N
XLogP2.95
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.95
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
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-[(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
(E)-1-[3-[2-(3-Methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6897840
N-[(E)-(2-propoxynaphthalen-1-yl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6898263
(E)-(8-methoxy-1-naphthyl)methylene-(1,2,4-triazol-4-yl)amine
CID 6898996

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858991) is (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is UEOWDJAYKPCTHR-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-6-14(7-3-1)20-15-8-4-5-13(9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10+.
What are the key properties of (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 264.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-phenoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).