5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one

C10H10N4O2 — CID 2792518

IUPAC5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1Nc1ccc(O)cc1
InChIInChI=1S/C10H10N4O2/c1-6-9(12-10(16)14-13-6)11-7-2-4-8(15)5-3-7/h2-5,15H,1H3,(H2,11,12,14,16)
InChIKeyASJZEIGLFYBXEZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.92
Rot. Bonds2

About 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one

5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 2792518) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID2792518
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1Nc1ccc(O)cc1
InChIInChI=1S/C10H10N4O2/c1-6-9(12-10(16)14-13-6)11-7-2-4-8(15)5-3-7/h2-5,15H,1H3,(H2,11,12,14,16)
InChIKeyASJZEIGLFYBXEZ-UHFFFAOYSA-N
XLogP0.92
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one (CID 2792518) is 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1Nc1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is ASJZEIGLFYBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-9(12-10(16)14-13-6)11-7-2-4-8(15)5-3-7/h2-5,15H,1H3,(H2,11,12,14,16).
What are the key properties of 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 218.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2792518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).