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

C17H20N6O2 — CID 90389604

IUPACtrans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCCOc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](O)C4)nc32)cc1
InChIInChI=1S/C17H20N6O2/c1-2-25-14-7-4-12(5-8-14)23-16-15(21-22-23)10-18-17(20-16)19-11-3-6-13(24)9-11/h4-5,7-8,10-11,13,24H,2-3,6,9H2,1H3,(H,18,19,20)/t11-,13-/m1/s1
InChIKeyAXUTYHBUQMIGKE-DGCLKSJQSA-N
MW340.39 g/mol
LogP1.93
Rot. Bonds5

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

trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 90389604) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
PubChem CID90389604
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Nametrans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCCOc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](O)C4)nc32)cc1
InChIInChI=1S/C17H20N6O2/c1-2-25-14-7-4-12(5-8-14)23-16-15(21-22-23)10-18-17(20-16)19-11-3-6-13(24)9-11/h4-5,7-8,10-11,13,24H,2-3,6,9H2,1H3,(H,18,19,20)/t11-,13-/m1/s1
InChIKeyAXUTYHBUQMIGKE-DGCLKSJQSA-N
XLogP1.93
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)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-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 90389604) is trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is CCOc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](O)C4)nc32)cc1.
What is the InChIKey of trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The InChIKey is AXUTYHBUQMIGKE-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-25-14-7-4-12(5-8-14)23-16-15(21-22-23)10-18-17(20-16)19-11-3-6-13(24)9-11/h4-5,7-8,10-11,13,24H,2-3,6,9H2,1H3,(H,18,19,20)/t11-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 340.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 90389604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).