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

C13H13N5O — CID 135454473

IUPAC3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(/C=N/Nc1nncc(=O)[nH]1)=C\c1ccccc1
InChIInChI=1S/C13H13N5O/c1-10(7-11-5-3-2-4-6-11)8-14-17-13-16-12(19)9-15-18-13/h2-9H,1H3,(H2,16,17,18,19)/b10-7+,14-8+
InChIKeyYLSPTDFSIUCBKG-XFUBVATKSA-N
MW255.28 g/mol
LogP1.67
Rot. Bonds4

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

3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135454473) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135454473
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(/C=N/Nc1nncc(=O)[nH]1)=C\c1ccccc1
InChIInChI=1S/C13H13N5O/c1-10(7-11-5-3-2-4-6-11)8-14-17-13-16-12(19)9-15-18-13/h2-9H,1H3,(H2,16,17,18,19)/b10-7+,14-8+
InChIKeyYLSPTDFSIUCBKG-XFUBVATKSA-N
XLogP1.67
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.67
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-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135454473) is 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is CC(/C=N/Nc1nncc(=O)[nH]1)=C\c1ccccc1.
What is the InChIKey of 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is YLSPTDFSIUCBKG-XFUBVATKSA-N. The full InChI is InChI=1S/C13H13N5O/c1-10(7-11-5-3-2-4-6-11)8-14-17-13-16-12(19)9-15-18-13/h2-9H,1H3,(H2,16,17,18,19)/b10-7+,14-8+.
What are the key properties of 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 255.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135454473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).