5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol

C16H19FN6O — CID 3230927

IUPAC5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol
SMILESOCCCCCNc1ncnc2c1nnn2Cc1ccccc1F
InChIInChI=1S/C16H19FN6O/c17-13-7-3-2-6-12(13)10-23-16-14(21-22-23)15(19-11-20-16)18-8-4-1-5-9-24/h2-3,6-7,11,24H,1,4-5,8-10H2,(H,18,19,20)
InChIKeyYDTMDQSVJMXQMB-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.98
Rot. Bonds8

About 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol

5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol (PubChem CID 3230927) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol
PubChem CID3230927
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol
SMILESOCCCCCNc1ncnc2c1nnn2Cc1ccccc1F
InChIInChI=1S/C16H19FN6O/c17-13-7-3-2-6-12(13)10-23-16-14(21-22-23)15(19-11-20-16)18-8-4-1-5-9-24/h2-3,6-7,11,24H,1,4-5,8-10H2,(H,18,19,20)
InChIKeyYDTMDQSVJMXQMB-UHFFFAOYSA-N
XLogP1.98
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-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 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol (CID 3230927) is 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol is OCCCCCNc1ncnc2c1nnn2Cc1ccccc1F.
What is the InChIKey of 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol?
The InChIKey is YDTMDQSVJMXQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c17-13-7-3-2-6-12(13)10-23-16-14(21-22-23)15(19-11-20-16)18-8-4-1-5-9-24/h2-3,6-7,11,24H,1,4-5,8-10H2,(H,18,19,20).
What are the key properties of 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol?
5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol has a molecular weight of 330.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]amino]pentan-1-ol is sourced from PubChem (CID 3230927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).