3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one

C8H9N3OS — CID 142196526

IUPAC3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one
SMILESCc1ccc(C2=NNCC(=O)N2)s1
InChIInChI=1S/C8H9N3OS/c1-5-2-3-6(13-5)8-10-7(12)4-9-11-8/h2-3,9H,4H2,1H3,(H,10,11,12)
InChIKeyCPJVEQDIRPVCFW-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.44
Rot. Bonds1

About 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one

3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one (PubChem CID 142196526) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one
PubChem CID142196526
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one
SMILESCc1ccc(C2=NNCC(=O)N2)s1
InChIInChI=1S/C8H9N3OS/c1-5-2-3-6(13-5)8-10-7(12)4-9-11-8/h2-3,9H,4H2,1H3,(H,10,11,12)
InChIKeyCPJVEQDIRPVCFW-UHFFFAOYSA-N
XLogP0.44
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-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

4-methyl-3-thiophen-2-yl-1H-1,2,4-triazine-5,6-dione
CID 57087612
2-Thiophen-2-yl-1,4-dihydroimidazol-5-one
CID 90942070
[Acetamido-(5-methylthiophen-2-yl)methylidene]azanium
CID 144212225
N-(5-methylthiophene-2-carboximidoyl)acetamide
CID 174077061
N-ethyl-2-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]acetamide
CID 18145778
N-pentyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 24539829
N-butyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 34231417
N-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 43215032
N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 43401144
N-propyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 43401145
N-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]acetamide
CID 43552904
6-[(5-methylthiophen-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 60965304

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one?
The IUPAC name of 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one (CID 142196526) is 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one is Cc1ccc(C2=NNCC(=O)N2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one?
The InChIKey is CPJVEQDIRPVCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-2-3-6(13-5)8-10-7(12)4-9-11-8/h2-3,9H,4H2,1H3,(H,10,11,12).
What are the key properties of 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one?
3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-4,6-dihydro-1H-1,2,4-triazin-5-one is sourced from PubChem (CID 142196526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).