3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

C7H7N5OS — CID 135843306

IUPAC3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESNNc1nnc(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C7H7N5OS/c8-10-7-9-6(13)5(11-12-7)4-2-1-3-14-4/h1-3H,8H2,(H2,9,10,12,13)
InChIKeyHLKVEUDXDMHFCP-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.18
Rot. Bonds2

About 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 135843306) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
PubChem CID135843306
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC Name3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESNNc1nnc(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C7H7N5OS/c8-10-7-9-6(13)5(11-12-7)4-2-1-3-14-4/h1-3H,8H2,(H2,9,10,12,13)
InChIKeyHLKVEUDXDMHFCP-UHFFFAOYSA-N
XLogP0.18
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydrazinyl-6-thiophen-2-yl-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

N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 136778844
3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779508
3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779061
3-[4-(ethylsulfanylmethyl)anilino]-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136683742
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one
CID 135408845
4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride
CID 22757918
4-amino-3-tert-butyl-6-thiophen-2-yl-1,2,4-triazin-5-one
CID 22757952
5-thiophen-2-yl-2H-triazol-4-amine
CID 54057272
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
CID 162717711
3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one
CID 22757892
5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one
CID 170875448

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (CID 135843306) is 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is NNc1nnc(-c2cccs2)c(=O)[nH]1.
What is the InChIKey of 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is HLKVEUDXDMHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c8-10-7-9-6(13)5(11-12-7)4-2-1-3-14-4/h1-3H,8H2,(H2,9,10,12,13).
What are the key properties of 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 209.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135843306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).