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

C13H13N5O — CID 6391795

IUPAC5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCC(/C=N\Nc1cn[nH]c(=O)n1)=C\c1ccccc1
InChIInChI=1S/C13H13N5O/c1-10(7-11-5-3-2-4-6-11)8-14-17-12-9-15-18-13(19)16-12/h2-9H,1H3,(H2,16,17,18,19)/b10-7+,14-8-
InChIKeyFUEJJKOIPRBIOV-OGBNRGGWSA-N
MW255.28 g/mol
LogP1.67
Rot. Bonds4

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

5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 6391795) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID6391795
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCC(/C=N\Nc1cn[nH]c(=O)n1)=C\c1ccccc1
InChIInChI=1S/C13H13N5O/c1-10(7-11-5-3-2-4-6-11)8-14-17-12-9-15-18-13(19)16-12/h2-9H,1H3,(H2,16,17,18,19)/b10-7+,14-8-
InChIKeyFUEJJKOIPRBIOV-OGBNRGGWSA-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'}

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Related Compounds

5-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789180
5-methyl-2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 687595
5-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789166
2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 2301718
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773797
4-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 110338043
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
5-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2857124
5-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2791054
5-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337120

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 6391795) is 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is CC(/C=N\Nc1cn[nH]c(=O)n1)=C\c1ccccc1.
What is the InChIKey of 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is FUEJJKOIPRBIOV-OGBNRGGWSA-N. The full InChI is InChI=1S/C13H13N5O/c1-10(7-11-5-3-2-4-6-11)8-14-17-12-9-15-18-13(19)16-12/h2-9H,1H3,(H2,16,17,18,19)/b10-7+,14-8-.
What are the key properties of 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-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 5-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 6391795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).