(E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine

C17H16N4O — CID 166227001

IUPAC(E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine
SMILESC(=N/OCc1ccccc1)\c1cnnn1Cc1ccccc1
InChIInChI=1S/C17H16N4O/c1-3-7-15(8-4-1)13-21-17(11-18-20-21)12-19-22-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b19-12+
InChIKeyOVLIRSUYJMVIKT-XDHOZWIPSA-N
MW292.34 g/mol
LogP2.88
Rot. Bonds6

About (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine

(E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine (PubChem CID 166227001) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine
PubChem CID166227001
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine
SMILESC(=N/OCc1ccccc1)\c1cnnn1Cc1ccccc1
InChIInChI=1S/C17H16N4O/c1-3-7-15(8-4-1)13-21-17(11-18-20-21)12-19-22-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b19-12+
InChIKeyOVLIRSUYJMVIKT-XDHOZWIPSA-N
XLogP2.88
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine (CID 166227001) is (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine is C(=N/OCc1ccccc1)\c1cnnn1Cc1ccccc1.
What is the InChIKey of (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine?
The InChIKey is OVLIRSUYJMVIKT-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-7-15(8-4-1)13-21-17(11-18-20-21)12-19-22-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b19-12+.
What are the key properties of (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine?
(E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine has a molecular weight of 292.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-benzyltriazol-4-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 166227001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).