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

C11H10N4O2 — CID 137266512

IUPAC3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one
SMILESC=C1N=N/C(=N\c2cc(C)ccc2O)NC1=O
InChIInChI=1S/C11H10N4O2/c1-6-3-4-9(16)8(5-6)12-11-13-10(17)7(2)14-15-11/h3-5,16H,2H2,1H3,(H,12,13,17)
InChIKeyDIQZEPBEEDPLQE-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.78
Rot. Bonds1

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

3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one (PubChem CID 137266512) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one
PubChem CID137266512
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one
SMILESC=C1N=N/C(=N\c2cc(C)ccc2O)NC1=O
InChIInChI=1S/C11H10N4O2/c1-6-3-4-9(16)8(5-6)12-11-13-10(17)7(2)14-15-11/h3-5,16H,2H2,1H3,(H,12,13,17)
InChIKeyDIQZEPBEEDPLQE-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one (CID 137266512) is 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one is C=C1N=N/C(=N\c2cc(C)ccc2O)NC1=O.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one?
The InChIKey is DIQZEPBEEDPLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-6-3-4-9(16)8(5-6)12-11-13-10(17)7(2)14-15-11/h3-5,16H,2H2,1H3,(H,12,13,17).
What are the key properties of 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one?
3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one has a molecular weight of 230.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)imino-6-methylidene-1,2,4-triazin-5-one is sourced from PubChem (CID 137266512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).