(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine

C17H16N4 — CID 5347605

IUPAC(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine
SMILESCc1nnc(C)n1/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N4/c1-13-19-20-14(2)21(13)18-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3/b18-12+
InChIKeyODDZBALTIPAXCP-LDADJPATSA-N
MW276.34 g/mol
LogP3.44
Rot. Bonds3

About (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine (PubChem CID 5347605) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine
PubChem CID5347605
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine
SMILESCc1nnc(C)n1/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16N4/c1-13-19-20-14(2)21(13)18-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3/b18-12+
InChIKeyODDZBALTIPAXCP-LDADJPATSA-N
XLogP3.44
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine?
The IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine (CID 5347605) is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine?
The canonical SMILES for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine is Cc1nnc(C)n1/N=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine?
The InChIKey is ODDZBALTIPAXCP-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-19-20-14(2)21(13)18-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,1-2H3/b18-12+.
What are the key properties of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine?
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine has a molecular weight of 276.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-phenylphenyl)methanimine is sourced from PubChem (CID 5347605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).