5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

C10H9N5O3 — CID 135412139

IUPAC5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N/N=C/c2ccc(O)cc2O)cn[nH]1
InChIInChI=1S/C10H9N5O3/c16-7-2-1-6(8(17)3-7)4-11-14-9-5-12-15-10(18)13-9/h1-5,16-17H,(H2,13,14,15,18)/b11-4+
InChIKeyRJMDTRQTOZUOKO-NYYWCZLTSA-N
MW247.21 g/mol
LogP0.02
Rot. Bonds3

About 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 135412139) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID135412139
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N/N=C/c2ccc(O)cc2O)cn[nH]1
InChIInChI=1S/C10H9N5O3/c16-7-2-1-6(8(17)3-7)4-11-14-9-5-12-15-10(18)13-9/h1-5,16-17H,(H2,13,14,15,18)/b11-4+
InChIKeyRJMDTRQTOZUOKO-NYYWCZLTSA-N
XLogP0.02
TPSA123.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412186
5-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789166
5-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2788039
5-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 136732944
5-[(2E)-2-[(5-hydroxy-4-methoxy-2-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110341476
5-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2791054
5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789180
5-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337104
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
5-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337120
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2857124

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 135412139) is 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is O=c1nc(N/N=C/c2ccc(O)cc2O)cn[nH]1.
What is the InChIKey of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is RJMDTRQTOZUOKO-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-7-2-1-6(8(17)3-7)4-11-14-9-5-12-15-10(18)13-9/h1-5,16-17H,(H2,13,14,15,18)/b11-4+.
What are the key properties of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 247.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135412139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).