N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide

C15H12N4O — CID 86289012

IUPACN-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide
SMILES[O-]/[N+](=C\c1cn(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C15H12N4O/c20-19(15-9-5-2-6-10-15)12-13-11-18(17-16-13)14-7-3-1-4-8-14/h1-12H/b19-12-
InChIKeyGKQYVFKAYBOSKH-UNOMPAQXSA-N
MW264.29 g/mol
LogP2.53
Rot. Bonds3

About N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide

N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide (PubChem CID 86289012) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide.

Molecular Properties

Compound NameN-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide
PubChem CID86289012
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC NameN-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide
SMILES[O-]/[N+](=C\c1cn(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C15H12N4O/c20-19(15-9-5-2-6-10-15)12-13-11-18(17-16-13)14-7-3-1-4-8-14/h1-12H/b19-12-
InChIKeyGKQYVFKAYBOSKH-UNOMPAQXSA-N
XLogP2.53
TPSA56.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide?
The IUPAC name of N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide (CID 86289012) is N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide.
What is the SMILES notation for N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide?
The canonical SMILES for N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide is [O-]/[N+](=C\c1cn(-c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide?
The InChIKey is GKQYVFKAYBOSKH-UNOMPAQXSA-N. The full InChI is InChI=1S/C15H12N4O/c20-19(15-9-5-2-6-10-15)12-13-11-18(17-16-13)14-7-3-1-4-8-14/h1-12H/b19-12-.
What are the key properties of N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide?
N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide has a molecular weight of 264.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(1-phenyltriazol-4-yl)methanimine oxide is sourced from PubChem (CID 86289012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).