3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C15H17N5OS — CID 7303390

IUPAC3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1ccc(Nc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1
InChIInChI=1S/C15H17N5OS/c1-9-5-7-10(8-6-9)16-13-19-20-12(21)11(15(2,3)4)17-18-14(20)22-13/h5-8H,1-4H3,(H,16,19)
InChIKeyAZOOZLLJQYUSSC-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.90
Rot. Bonds2

About 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 7303390) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID7303390
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1ccc(Nc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1
InChIInChI=1S/C15H17N5OS/c1-9-5-7-10(8-6-9)16-13-19-20-12(21)11(15(2,3)4)17-18-14(20)22-13/h5-8H,1-4H3,(H,16,19)
InChIKeyAZOOZLLJQYUSSC-UHFFFAOYSA-N
XLogP2.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-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

2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419165
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 7196636
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 7197225
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-butylphenyl)acetamide
CID 7196642
7-[4-(dimethylamino)phenyl]-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 8056536
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-ethylphenyl)acetamide
CID 7196640
4-Amino-6-tert-butyl-3-(4-methylanilino)-1,2,4-triazin-5-one
CID 4354153
2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7202436
7-Methyl-2-(4-propan-2-ylanilino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 17512488
N-[4-Acetyl-5-(4-acetamidophenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-YL]acetamide
CID 4198372
6-(Tert-butyl)-3-[(2,4-dimethylphenyl)amino]-1,2,4-triazin-5-ol
CID 135439171
N-(4-tert-butylphenyl)-2-[(3-fluoro-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 52102019

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 7303390) is 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Cc1ccc(Nc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1.
What is the InChIKey of 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is AZOOZLLJQYUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-5-7-10(8-6-9)16-13-19-20-12(21)11(15(2,3)4)17-18-14(20)22-13/h5-8H,1-4H3,(H,16,19).
What are the key properties of 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 315.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-7-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 7303390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).