3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C11H10N6O4 — CID 135425004

IUPAC3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)[nH]c1=O
InChIInChI=1S/C11H10N6O4/c1-6-10(19)13-11(16-14-6)15-12-5-7-2-3-9(18)8(4-7)17(20)21/h2-5,18H,1H3,(H2,13,15,16,19)/b12-5+
InChIKeyOQCVGSPOJORKJW-LFYBBSHMSA-N
MW290.24 g/mol
LogP0.53
Rot. Bonds4

About 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135425004) has the molecular formula C11H10N6O4 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135425004
Molecular FormulaC11H10N6O4
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC Name3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)[nH]c1=O
InChIInChI=1S/C11H10N6O4/c1-6-10(19)13-11(16-14-6)15-12-5-7-2-3-9(18)8(4-7)17(20)21/h2-5,18H,1H3,(H2,13,15,16,19)/b12-5+
InChIKeyOQCVGSPOJORKJW-LFYBBSHMSA-N
XLogP0.53
TPSA146.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-nitrobenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412208
1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137175139
1,2-bis[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 136313146
5-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 3810916
6-benzyl-3-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135627912
2-Hydroxy-3,5-dinitrobenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135533754
2-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135447262
1-(4-fluorophenyl)-3-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]urea
CID 137050262
2-[2-[(6-fluoro-2-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571786
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135412075
3-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl]-1,2,4-triazin-5(4H)-one
CID 135412116
2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]acetohydrazide
CID 135412126

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135425004) is 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)[nH]c1=O.
What is the InChIKey of 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is OQCVGSPOJORKJW-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H10N6O4/c1-6-10(19)13-11(16-14-6)15-12-5-7-2-3-9(18)8(4-7)17(20)21/h2-5,18H,1H3,(H2,13,15,16,19)/b12-5+.
What are the key properties of 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 290.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135425004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).