6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C14H17N5O2 — CID 135607764

IUPAC6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(N/N=C/c2ccccc2O)[nH]c1=O
InChIInChI=1S/C14H17N5O2/c1-14(2,3)11-12(21)16-13(19-17-11)18-15-8-9-6-4-5-7-10(9)20/h4-8,20H,1-3H3,(H2,16,18,19,21)/b15-8+
InChIKeyFVCRTPXUMRASEQ-OVCLIPMQSA-N
MW287.32 g/mol
LogP1.61
Rot. Bonds3

About 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135607764) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135607764
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(N/N=C/c2ccccc2O)[nH]c1=O
InChIInChI=1S/C14H17N5O2/c1-14(2,3)11-12(21)16-13(19-17-11)18-15-8-9-6-4-5-7-10(9)20/h4-8,20H,1-3H3,(H2,16,18,19,21)/b15-8+
InChIKeyFVCRTPXUMRASEQ-OVCLIPMQSA-N
XLogP1.61
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-Hydroxy-2-(2-hydroxybenzylidenehydrazino)-6-methylpyrimidine
CID 135460298
2-Hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135471898
2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135510947
(E)-4-amino-3-(2-(5-bromo-2-hydroxybenzylidene)hydrazinyl)-6-(tert-butyl)-1,2,4-triazin-5(4H)-one
CID 135517162
(E)-4-amino-6-(tert-butyl)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135517165
4-amino-6-tert-butyl-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 135517168
(E)-6-(tert-butyl)-4-((2-hydroxybenzylidene)amino)-3-(methylthio)-1,2,4-triazin-5(4H)-one
CID 135576335
3-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5(4H)-one
CID 135567687
3-[(2E)-2-(5-chloro-2-hydroxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5(4H)-one
CID 135567721
(E)-6-benzyl-3-(2-(1-(2-hydroxyphenyl)ethylidene)hydrazinyl)-1,2,4-triazin-5(2H)-one
CID 135716497
3-ethyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one
CID 135505140
3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135409374

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135607764) is 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is CC(C)(C)c1nnc(N/N=C/c2ccccc2O)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is FVCRTPXUMRASEQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-14(2,3)11-12(21)16-13(19-17-11)18-15-8-9-6-4-5-7-10(9)20/h4-8,20H,1-3H3,(H2,16,18,19,21)/b15-8+.
What are the key properties of 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 287.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135607764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).