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

C12H12N6O3 — CID 2791373

IUPAC6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCC(=NNc1nc(=O)[nH]nc1C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N6O3/c1-7(9-5-3-4-6-10(9)18(20)21)14-16-11-8(2)15-17-12(19)13-11/h3-6H,1-2H3,(H2,13,16,17,19)
InChIKeyRYDROGRIWOSNSL-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.22
Rot. Bonds4

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

6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 2791373) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID2791373
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCC(=NNc1nc(=O)[nH]nc1C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N6O3/c1-7(9-5-3-4-6-10(9)18(20)21)14-16-11-8(2)15-17-12(19)13-11/h3-6H,1-2H3,(H2,13,16,17,19)
InChIKeyRYDROGRIWOSNSL-UHFFFAOYSA-N
XLogP1.22
TPSA126.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
(3,5-dimethyl-1H-pyrazol-4-yl)-(2-nitrophenyl)methanone
CID 12843557
4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 9214514
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
4-bromo-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982965
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
CID 135716763
2-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9317103
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9316714
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
diaminomethylidene-(propan-2-ylideneamino)azanium;2-nitrobenzoate
CID 139059884

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 2791373) is 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is CC(=NNc1nc(=O)[nH]nc1C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is RYDROGRIWOSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c1-7(9-5-3-4-6-10(9)18(20)21)14-16-11-8(2)15-17-12(19)13-11/h3-6H,1-2H3,(H2,13,16,17,19).
What are the key properties of 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 288.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2791373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).