9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine

C17H17FN8 — CID 167910593

IUPAC9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine
SMILESCC[C@H](c1ccc(F)cc1)n1cc(Cn2cnc3c(N)ncnc32)nn1
InChIInChI=1S/C17H17FN8/c1-2-14(11-3-5-12(18)6-4-11)26-8-13(23-24-26)7-25-10-22-15-16(19)20-9-21-17(15)25/h3-6,8-10,14H,2,7H2,1H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyUQFCNYPEZGFGLO-CQSZACIVSA-N
MW352.38 g/mol
LogP2.19
Rot. Bonds5

About 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine

9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine (PubChem CID 167910593) has the molecular formula C17H17FN8 and a molecular weight of 352.38 g/mol. Its IUPAC name is 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine
PubChem CID167910593
Molecular FormulaC17H17FN8
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine
SMILESCC[C@H](c1ccc(F)cc1)n1cc(Cn2cnc3c(N)ncnc32)nn1
InChIInChI=1S/C17H17FN8/c1-2-14(11-3-5-12(18)6-4-11)26-8-13(23-24-26)7-25-10-22-15-16(19)20-9-21-17(15)25/h3-6,8-10,14H,2,7H2,1H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyUQFCNYPEZGFGLO-CQSZACIVSA-N
XLogP2.19
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine 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

9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
[3-[4-[(6-aminopurin-9-yl)methyl]triazol-1-yl]-2-hydroxypropyl]phosphonic acid
CID 57408545
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
4-[4-[4-[(6-aminopurin-9-yl)methyl]triazol-1-yl]butyl]benzoic acid
CID 177372086
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509
9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
CID 115334201
9-(3-fluoro-3-methoxy-2-phosphanylpropyl)purin-6-amine
CID 68636068
2-(6-aminopurin-9-yl)-1-(2,5-difluorophenyl)ethanone
CID 62024049
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263

Frequently Asked Questions

What is the IUPAC name of 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine?
The IUPAC name of 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine (CID 167910593) is 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine?
The canonical SMILES for 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine is CC[C@H](c1ccc(F)cc1)n1cc(Cn2cnc3c(N)ncnc32)nn1.
What is the InChIKey of 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine?
The InChIKey is UQFCNYPEZGFGLO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN8/c1-2-14(11-3-5-12(18)6-4-11)26-8-13(23-24-26)7-25-10-22-15-16(19)20-9-21-17(15)25/h3-6,8-10,14H,2,7H2,1H3,(H2,19,20,21)/t14-/m1/s1.
What are the key properties of 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine?
9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine has a molecular weight of 352.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-[(1R)-1-(4-fluorophenyl)propyl]triazol-4-yl]methyl]purin-6-amine is sourced from PubChem (CID 167910593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).