4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one

C11H11N5O — CID 121224099

IUPAC4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one
SMILESCn1cnc(N/N=C/c2ccccc2)nc1=O
InChIInChI=1S/C11H11N5O/c1-16-8-12-10(14-11(16)17)15-13-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,17)/b13-7+
InChIKeyLVWVVYPNVWWGBV-NTUHNPAUSA-N
MW229.24 g/mol
LogP0.62
Rot. Bonds3

About 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one

4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one (PubChem CID 121224099) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one
PubChem CID121224099
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one
SMILESCn1cnc(N/N=C/c2ccccc2)nc1=O
InChIInChI=1S/C11H11N5O/c1-16-8-12-10(14-11(16)17)15-13-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,17)/b13-7+
InChIKeyLVWVVYPNVWWGBV-NTUHNPAUSA-N
XLogP0.62
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
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

N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
CID 121223490
2-[(2E)-2-benzylidenehydrazinyl]pyrimidine-4-carboxylic acid
CID 127030290
N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
CID 2824458
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
CID 6060872
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 67268272
N'-(5-benzyl-4-oxo-1,3,5-triazin-2-yl)acetohydrazide
CID 54557148
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one?
The IUPAC name of 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one (CID 121224099) is 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one?
The canonical SMILES for 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one is Cn1cnc(N/N=C/c2ccccc2)nc1=O.
What is the InChIKey of 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one?
The InChIKey is LVWVVYPNVWWGBV-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-8-12-10(14-11(16)17)15-13-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,17)/b13-7+.
What are the key properties of 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one?
4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one has a molecular weight of 229.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one is sourced from PubChem (CID 121224099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).