3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one

C17H15N5O — CID 135412082

IUPAC3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCc1cccc(/C=N\Nc2nnc(-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C17H15N5O/c1-12-6-5-7-13(10-12)11-18-21-17-19-16(23)15(20-22-17)14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,21,22,23)/b18-11-
InChIKeyCVVMGGDLCRBXPV-WQRHYEAKSA-N
MW305.34 g/mol
LogP2.59
Rot. Bonds4

About 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135412082) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135412082
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCc1cccc(/C=N\Nc2nnc(-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C17H15N5O/c1-12-6-5-7-13(10-12)11-18-21-17-19-16(23)15(20-22-17)14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,21,22,23)/b18-11-
InChIKeyCVVMGGDLCRBXPV-WQRHYEAKSA-N
XLogP2.59
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one (CID 135412082) is 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one is Cc1cccc(/C=N\Nc2nnc(-c3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is CVVMGGDLCRBXPV-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-6-5-7-13(10-12)11-18-21-17-19-16(23)15(20-22-17)14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,21,22,23)/b18-11-.
What are the key properties of 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 305.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).