6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C12H12N4OS — CID 621309

IUPAC6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCOc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C12H12N4OS/c1-2-17-10-5-3-9(4-6-10)11-7-18-12-14-13-8-16(12)15-11/h3-6,8H,2,7H2,1H3
InChIKeyOHSHOMBFVZDWKR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.03
Rot. Bonds3

About 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 621309) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID621309
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESCCOc1ccc(C2=Nn3cnnc3SC2)cc1
InChIInChI=1S/C12H12N4OS/c1-2-17-10-5-3-9(4-6-10)11-7-18-12-14-13-8-16(12)15-11/h3-6,8H,2,7H2,1H3
InChIKeyOHSHOMBFVZDWKR-UHFFFAOYSA-N
XLogP2.03
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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

6-[4-(difluoromethoxy)phenyl]-3,7-dimethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 4964024
6-(4-methoxyphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 18558490
3-[(4-butoxybenzyl)thio]-4H-1,2,4-triazole
CID 572406
6-(4-methoxyphenyl)-3-(trifluoromethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 755849
5-[(4-propan-2-yloxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 720487
3-[(3-fluoro-4-methoxybenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
CID 947437
3-[(4-propoxybenzyl)thio]-4H-1,2,4-triazole
CID 1958182
3-[4-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)phenoxy]thietane
CID 5341486
(NE)-N-[(4-Ethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 6858418
N-[(E)-(4-methoxyphenyl)methylidene]-3-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine
CID 6869610
N-[(E)-(4-methoxyphenyl)methylidene]-3-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-4-amine
CID 6882260
4-Methyl-3-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazole
CID 2128635

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 621309) is 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is CCOc1ccc(C2=Nn3cnnc3SC2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is OHSHOMBFVZDWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-17-10-5-3-9(4-6-10)11-7-18-12-14-13-8-16(12)15-11/h3-6,8H,2,7H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 260.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 621309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).