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

C9H9N5OS — CID 135539351

IUPAC6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN=Cc2cccs2)[nH]c1=O
InChIInChI=1S/C9H9N5OS/c1-6-8(15)11-9(14-12-6)13-10-5-7-3-2-4-16-7/h2-5H,1H3,(H2,11,13,14,15)
InChIKeyIVHOVBJOZNAFTI-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.98
Rot. Bonds3

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

6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135539351) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135539351
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN=Cc2cccs2)[nH]c1=O
InChIInChI=1S/C9H9N5OS/c1-6-8(15)11-9(14-12-6)13-10-5-7-3-2-4-16-7/h2-5H,1H3,(H2,11,13,14,15)
InChIKeyIVHOVBJOZNAFTI-UHFFFAOYSA-N
XLogP0.98
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-methyl-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135435472
3-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135537340
6-methyl-3-[(2E)-2-[(2,4,6-trimethylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135982649
6-methyl-3-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135402301
6-methyl-3-[(2Z)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135598845
3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135399287
6-methyl-3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135847861
6-methyl-3-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135496913
3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733501
6-methyl-3-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135949852
3-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135454378
3-[(2Z)-2-[(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784809

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135539351) is 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(NN=Cc2cccs2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is IVHOVBJOZNAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c1-6-8(15)11-9(14-12-6)13-10-5-7-3-2-4-16-7/h2-5H,1H3,(H2,11,13,14,15).
What are the key properties of 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 235.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135539351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).