N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide

C15H14N4O — CID 88650560

IUPACN-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide
SMILESC/[N+]([O-])=C(/Cn1cncn1)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N4O/c1-18(20)15(9-19-11-16-10-17-19)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3/b18-15+
InChIKeyVJQMLUBUZAGVPI-OBGWFSINSA-N
MW266.30 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide

N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide (PubChem CID 88650560) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide
PubChem CID88650560
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide
SMILESC/[N+]([O-])=C(/Cn1cncn1)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N4O/c1-18(20)15(9-19-11-16-10-17-19)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3/b18-15+
InChIKeyVJQMLUBUZAGVPI-OBGWFSINSA-N
XLogP2.06
TPSA56.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.06
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-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide?
The IUPAC name of N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide (CID 88650560) is N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide is C/[N+]([O-])=C(/Cn1cncn1)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide?
The InChIKey is VJQMLUBUZAGVPI-OBGWFSINSA-N. The full InChI is InChI=1S/C15H14N4O/c1-18(20)15(9-19-11-16-10-17-19)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10-11H,9H2,1H3/b18-15+.
What are the key properties of N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide?
N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide has a molecular weight of 266.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-yl-2-(1,2,4-triazol-1-yl)ethanimine oxide is sourced from PubChem (CID 88650560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).