9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione

C10H12N6O2 — CID 3077758

IUPAC9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione
SMILESCCCn1c(=O)n2c(=O)[nH]nc2c2c1ncn2C
InChIInChI=1S/C10H12N6O2/c1-3-4-15-7-6(14(2)5-11-7)8-12-13-9(17)16(8)10(15)18/h5H,3-4H2,1-2H3,(H,13,17)
InChIKeyREOSGFIOSNYAED-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.52
Rot. Bonds2

About 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione

9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione (PubChem CID 3077758) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione.

Molecular Properties

Compound Name9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione
PubChem CID3077758
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione
SMILESCCCn1c(=O)n2c(=O)[nH]nc2c2c1ncn2C
InChIInChI=1S/C10H12N6O2/c1-3-4-15-7-6(14(2)5-11-7)8-12-13-9(17)16(8)10(15)18/h5H,3-4H2,1-2H3,(H,13,17)
InChIKeyREOSGFIOSNYAED-UHFFFAOYSA-N
XLogP-0.52
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione 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-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione?
The IUPAC name of 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione (CID 3077758) is 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione.
What is the SMILES notation for 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione?
The canonical SMILES for 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione is CCCn1c(=O)n2c(=O)[nH]nc2c2c1ncn2C.
What is the InChIKey of 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione?
The InChIKey is REOSGFIOSNYAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-3-4-15-7-6(14(2)5-11-7)8-12-13-9(17)16(8)10(15)18/h5H,3-4H2,1-2H3,(H,13,17).
What are the key properties of 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione?
9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione has a molecular weight of 248.25 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-propyl-2H-[1,2,4]triazolo[3,4-f]purine-3,5-dione is sourced from PubChem (CID 3077758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).