9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine

C11H10N6O — CID 10399466

IUPAC9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine
SMILESc1cnn(-c2ncnc3c2ncn3CC2CO2)c1
InChIInChI=1S/C11H10N6O/c1-2-15-17(3-1)11-9-10(12-6-13-11)16(7-14-9)4-8-5-18-8/h1-3,6-8H,4-5H2
InChIKeyFSCCQDWWTWDZCP-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds3

About 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine

9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine (PubChem CID 10399466) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine.

Molecular Properties

Compound Name9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine
PubChem CID10399466
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine
SMILESc1cnn(-c2ncnc3c2ncn3CC2CO2)c1
InChIInChI=1S/C11H10N6O/c1-2-15-17(3-1)11-9-10(12-6-13-11)16(7-14-9)4-8-5-18-8/h1-3,6-8H,4-5H2
InChIKeyFSCCQDWWTWDZCP-UHFFFAOYSA-N
XLogP0.41
TPSA73.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine 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 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine?
The IUPAC name of 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine (CID 10399466) is 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine.
What is the SMILES notation for 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine?
The canonical SMILES for 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine is c1cnn(-c2ncnc3c2ncn3CC2CO2)c1.
What is the InChIKey of 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine?
The InChIKey is FSCCQDWWTWDZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-2-15-17(3-1)11-9-10(12-6-13-11)16(7-14-9)4-8-5-18-8/h1-3,6-8H,4-5H2.
What are the key properties of 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine?
9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine has a molecular weight of 242.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxiran-2-ylmethyl)-6-pyrazol-1-ylpurine is sourced from PubChem (CID 10399466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).