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

C13H15N5O2 — CID 2791370

IUPAC5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCOc1ccc(C(C)=NNc2nc(=O)[nH]nc2C)cc1
InChIInChI=1S/C13H15N5O2/c1-8(10-4-6-11(20-3)7-5-10)15-17-12-9(2)16-18-13(19)14-12/h4-7H,1-3H3,(H2,14,17,18,19)
InChIKeyQVLVYCDBWBVCLX-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.32
Rot. Bonds4

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

5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 2791370) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID2791370
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCOc1ccc(C(C)=NNc2nc(=O)[nH]nc2C)cc1
InChIInChI=1S/C13H15N5O2/c1-8(10-4-6-11(20-3)7-5-10)15-17-12-9(2)16-18-13(19)14-12/h4-7H,1-3H3,(H2,14,17,18,19)
InChIKeyQVLVYCDBWBVCLX-UHFFFAOYSA-N
XLogP1.32
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2791373
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
6-(4-methoxyphenyl)-2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]pyrimidin-4-amine
CID 16747550
5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 7213919
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
7-ethyl-8-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 3765780

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 2791370) is 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is COc1ccc(C(C)=NNc2nc(=O)[nH]nc2C)cc1.
What is the InChIKey of 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is QVLVYCDBWBVCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(10-4-6-11(20-3)7-5-10)15-17-12-9(2)16-18-13(19)14-12/h4-7H,1-3H3,(H2,14,17,18,19).
What are the key properties of 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 273.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2791370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).