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

C18H17N5O — CID 135530273

IUPAC6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(C=NNc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H17N5O/c1-13(14-8-4-2-5-9-14)12-19-22-18-20-17(24)16(21-23-18)15-10-6-3-7-11-15/h2-13H,1H3,(H2,20,22,23,24)
InChIKeyZBJCAAFAJARFAV-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.03
Rot. Bonds5

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

6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135530273) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135530273
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(C=NNc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H17N5O/c1-13(14-8-4-2-5-9-14)12-19-22-18-20-17(24)16(21-23-18)15-10-6-3-7-11-15/h2-13H,1H3,(H2,20,22,23,24)
InChIKeyZBJCAAFAJARFAV-UHFFFAOYSA-N
XLogP3.03
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.03
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

3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136672419
3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773797
3-[2-[(2-bromophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135453557
6-phenyl-3-[(2E)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136789096
3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789147
3-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773796
3-[(2E)-2-[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789042
3-(4-aminoanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135882629
3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135715726
3-(3-chloro-4-fluoroanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135713736
3-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773801
3-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135548685

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135530273) is 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is CC(C=NNc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is ZBJCAAFAJARFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13(14-8-4-2-5-9-14)12-19-22-18-20-17(24)16(21-23-18)15-10-6-3-7-11-15/h2-13H,1H3,(H2,20,22,23,24).
What are the key properties of 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 319.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135530273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).