1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

C16H13FN4O — CID 886732

IUPAC1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccccc1COc1cccc(C=Nn2cnnc2)c1
InChIInChI=1S/C16H13FN4O/c17-16-7-2-1-5-14(16)10-22-15-6-3-4-13(8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2
InChIKeyXFSVZTXZSLTXNB-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.88
Rot. Bonds5

About 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 886732) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID886732
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILESFc1ccccc1COc1cccc(C=Nn2cnnc2)c1
InChIInChI=1S/C16H13FN4O/c17-16-7-2-1-5-14(16)10-22-15-6-3-4-13(8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2
InChIKeyXFSVZTXZSLTXNB-UHFFFAOYSA-N
XLogP2.88
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.88
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

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-[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
(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
(E)-1-[3-(4-chlorophenoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9554679

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine (CID 886732) is 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is Fc1ccccc1COc1cccc(C=Nn2cnnc2)c1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is XFSVZTXZSLTXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-16-7-2-1-5-14(16)10-22-15-6-3-4-13(8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine?
1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 296.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 886732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).