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

C13H15N5O — CID 135412005

IUPAC6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H15N5O/c1-10-12(19)15-13(18-16-10)17-14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8H2,1H3,(H2,15,17,18,19)/b14-9+
InChIKeyJSOFDKFEEMJGTG-NTEUORMPSA-N
MW257.30 g/mol
LogP1.50
Rot. Bonds5

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

6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135412005) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135412005
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C13H15N5O/c1-10-12(19)15-13(18-16-10)17-14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8H2,1H3,(H2,15,17,18,19)/b14-9+
InChIKeyJSOFDKFEEMJGTG-NTEUORMPSA-N
XLogP1.50
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.50
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 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135412005) is 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/CCc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is JSOFDKFEEMJGTG-NTEUORMPSA-N. The full InChI is InChI=1S/C13H15N5O/c1-10-12(19)15-13(18-16-10)17-14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8H2,1H3,(H2,15,17,18,19)/b14-9+.
What are the key properties of 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 257.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).