5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one

C11H10N4O2 — CID 137266504

IUPAC5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\c1cc(C)ccc1O
InChIInChI=1S/C11H10N4O2/c1-6-3-4-9(16)8(5-6)12-10-7(2)14-15-11(17)13-10/h3-5,16H,2H2,1H3,(H,12,13,17)
InChIKeyVUGIIZRPIPUCFX-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.42
Rot. Bonds1

About 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one

5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one (PubChem CID 137266504) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one
PubChem CID137266504
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\c1cc(C)ccc1O
InChIInChI=1S/C11H10N4O2/c1-6-3-4-9(16)8(5-6)12-10-7(2)14-15-11(17)13-10/h3-5,16H,2H2,1H3,(H,12,13,17)
InChIKeyVUGIIZRPIPUCFX-UHFFFAOYSA-N
XLogP2.42
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one?
The IUPAC name of 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one (CID 137266504) is 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N\c1cc(C)ccc1O.
What is the InChIKey of 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one?
The InChIKey is VUGIIZRPIPUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-6-3-4-9(16)8(5-6)12-10-7(2)14-15-11(17)13-10/h3-5,16H,2H2,1H3,(H,12,13,17).
What are the key properties of 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one?
5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one has a molecular weight of 230.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 137266504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).