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

C11H11N5O — CID 135454371

IUPAC3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H11N5O/c1-8-10(17)13-11(16-14-8)15-12-7-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,15,16,17)/b12-7+
InChIKeyMOQKRFZPZNKXSG-KPKJPENVSA-N
MW229.24 g/mol
LogP0.92
Rot. Bonds3

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

3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135454371) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135454371
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H11N5O/c1-8-10(17)13-11(16-14-8)15-12-7-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,15,16,17)/b12-7+
InChIKeyMOQKRFZPZNKXSG-KPKJPENVSA-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'}

Analyze 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cinnamylidenehydrazino)-4-hydroxy-6-methylpyrimidine
CID 135454405
(E)-6-methyl-3-(2-(2-phenylpropylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135412003
6-benzyl-3-[(2E)-2-heptylidenehydrazinyl]-2H-1,2,4-triazin-5-one
CID 135479797
6-benzyl-3-[(2E)-2-octylidenehydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135487277
1,2,4-Triazolo(4,3-b)(1,2,4)triazin-3(2H)-one, 7-phenyl-
CID 6410671
(1E,2E)-2-methyl-3-phenylacrylaldehyde (5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 6863503
(E)-4-amino-3-(2-benzylidenehydrazinyl)-6-(tert-butyl)-1,2,4-triazin-5(4H)-one
CID 9649703
(1E,2E)-2-methyl-3-phenylacrylaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135433183
2-Methyl-3-phenylacrylaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135446632
4-[(2E)-2-benzylidenehydrazinyl]pyrimidin-2(1H)-one
CID 9701750
6-benzyl-3-[(2E)-2-butylidenehydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135479805
AC1L5Sro
CID 135500664

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135454371) is 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/c2ccccc2)[nH]c1=O.
What is the InChIKey of 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is MOQKRFZPZNKXSG-KPKJPENVSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-10(17)13-11(16-14-8)15-12-7-9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,15,16,17)/b12-7+.
What are the key properties of 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-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 3-[(2E)-2-benzylidenehydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135454371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).