5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

C11H11N5O — CID 2789180

IUPAC5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1cccc(C=NNc2cn[nH]c(=O)n2)c1
InChIInChI=1S/C11H11N5O/c1-8-3-2-4-9(5-8)6-12-15-10-7-13-16-11(17)14-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyRMUCYICZRHHZRF-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.92
Rot. Bonds3

About 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 2789180) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID2789180
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1cccc(C=NNc2cn[nH]c(=O)n2)c1
InChIInChI=1S/C11H11N5O/c1-8-3-2-4-9(5-8)6-12-15-10-7-13-16-11(17)14-10/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyRMUCYICZRHHZRF-UHFFFAOYSA-N
XLogP0.92
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2857124
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2788039
5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 6391795
5-[(2E)-2-[[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110510026
5-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2791054
5-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 136732944
5-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789166
5-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337120
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 135412139
2-N,4-N-bis[(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 66684301
2-N,4-N-bis[(E)-(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 11537766

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 2789180) is 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is Cc1cccc(C=NNc2cn[nH]c(=O)n2)c1.
What is the InChIKey of 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is RMUCYICZRHHZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-3-2-4-9(5-8)6-12-15-10-7-13-16-11(17)14-10/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 229.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2789180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).