2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine

C15H20N4S — CID 16751720

IUPAC2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine
SMILESCCCCN1CSc2nc(Cc3ccccc3)nn2C1
InChIInChI=1S/C15H20N4S/c1-2-3-9-18-11-19-15(20-12-18)16-14(17-19)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyCCWPRFWXFDOKDL-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.99
Rot. Bonds5

About 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine

2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine (PubChem CID 16751720) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine.

Molecular Properties

Compound Name2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine
PubChem CID16751720
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine
SMILESCCCCN1CSc2nc(Cc3ccccc3)nn2C1
InChIInChI=1S/C15H20N4S/c1-2-3-9-18-11-19-15(20-12-18)16-14(17-19)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyCCWPRFWXFDOKDL-UHFFFAOYSA-N
XLogP2.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]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

2-benzyl-6-chloro-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazine
CID 10468071
2-benzyl-7-[(2-butyl-1H-imidazol-5-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 163306292
4-benzyl-10-butyl-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898326
5-benzyl-3-butyl-2-propylimidazol-4-amine
CID 62218715
butylbenzene;propylbenzene
CID 142022125
1-benzyl-4-butylpiperazine;ethane
CID 90954358
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-benzyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 83965463
5-butyl-2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 144757764
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
1-butyl-4-(3-phenylpropyl)-2-propylimidazole
CID 69392819
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine?
The IUPAC name of 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine (CID 16751720) is 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine.
What is the SMILES notation for 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine?
The canonical SMILES for 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine is CCCCN1CSc2nc(Cc3ccccc3)nn2C1.
What is the InChIKey of 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine?
The InChIKey is CCWPRFWXFDOKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-3-9-18-11-19-15(20-12-18)16-14(17-19)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3.
What are the key properties of 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine?
2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine has a molecular weight of 288.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-butyl-5,7-dihydro-[1,2,4]triazolo[5,1-b][1,3,5]thiadiazine is sourced from PubChem (CID 16751720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).