trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

C15H14N8OS — CID 90397860

IUPACtrans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CC[C@@H](Nc2ncc3nnn(-c4ccc5nsnc5c4)c3n2)C1
InChIInChI=1S/C15H14N8OS/c24-10-3-1-8(5-10)17-15-16-7-13-14(18-15)23(22-19-13)9-2-4-11-12(6-9)21-25-20-11/h2,4,6-8,10,24H,1,3,5H2,(H,16,17,18)/t8-,10-/m1/s1
InChIKeyVIVOBBCWKVKQFO-PSASIEDQSA-N
MW354.40 g/mol
LogP1.54
Rot. Bonds3

About trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 90397860) has the molecular formula C15H14N8OS and a molecular weight of 354.40 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
PubChem CID90397860
Molecular FormulaC15H14N8OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Nametrans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESO[C@@H]1CC[C@@H](Nc2ncc3nnn(-c4ccc5nsnc5c4)c3n2)C1
InChIInChI=1S/C15H14N8OS/c24-10-3-1-8(5-10)17-15-16-7-13-14(18-15)23(22-19-13)9-2-4-11-12(6-9)21-25-20-11/h2,4,6-8,10,24H,1,3,5H2,(H,16,17,18)/t8-,10-/m1/s1
InChIKeyVIVOBBCWKVKQFO-PSASIEDQSA-N
XLogP1.54
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 90397860) is trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is O[C@@H]1CC[C@@H](Nc2ncc3nnn(-c4ccc5nsnc5c4)c3n2)C1.
What is the InChIKey of trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The InChIKey is VIVOBBCWKVKQFO-PSASIEDQSA-N. The full InChI is InChI=1S/C15H14N8OS/c24-10-3-1-8(5-10)17-15-16-7-13-14(18-15)23(22-19-13)9-2-4-11-12(6-9)21-25-20-11/h2,4,6-8,10,24H,1,3,5H2,(H,16,17,18)/t8-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 354.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 90397860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).