4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one

C15H12N4O2 — CID 135509211

IUPAC4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1O
InChIInChI=1S/C15H12N4O2/c20-13-9-5-4-8-12(13)10-16-19-14(17-18-15(19)21)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)/b16-10+
InChIKeyWKTJNNKHTHFTNL-MHWRWJLKSA-N
MW280.29 g/mol
LogP1.83
Rot. Bonds3

About 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one

4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one (PubChem CID 135509211) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
PubChem CID135509211
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1O
InChIInChI=1S/C15H12N4O2/c20-13-9-5-4-8-12(13)10-16-19-14(17-18-15(19)21)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)/b16-10+
InChIKeyWKTJNNKHTHFTNL-MHWRWJLKSA-N
XLogP1.83
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one (CID 135509211) is 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(-c2ccccc2)n1/N=C/c1ccccc1O.
What is the InChIKey of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one?
The InChIKey is WKTJNNKHTHFTNL-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-13-9-5-4-8-12(13)10-16-19-14(17-18-15(19)21)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)/b16-10+.
What are the key properties of 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one?
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one has a molecular weight of 280.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 135509211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).