9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one

C10H12N6O — CID 3077754

IUPAC9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCCCn1c(=O)n2cnnc2c2c1ncn2C
InChIInChI=1S/C10H12N6O/c1-3-4-15-8-7(14(2)5-11-8)9-13-12-6-16(9)10(15)17/h5-6H,3-4H2,1-2H3
InChIKeyJHLDKXBWLWVEEJ-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.19
Rot. Bonds2

About 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one

9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one (PubChem CID 3077754) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one.

Molecular Properties

Compound Name9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
PubChem CID3077754
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCCCn1c(=O)n2cnnc2c2c1ncn2C
InChIInChI=1S/C10H12N6O/c1-3-4-15-8-7(14(2)5-11-8)9-13-12-6-16(9)10(15)17/h5-6H,3-4H2,1-2H3
InChIKeyJHLDKXBWLWVEEJ-UHFFFAOYSA-N
XLogP0.19
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one?
The IUPAC name of 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one (CID 3077754) is 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one.
What is the SMILES notation for 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one?
The canonical SMILES for 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one is CCCn1c(=O)n2cnnc2c2c1ncn2C.
What is the InChIKey of 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one?
The InChIKey is JHLDKXBWLWVEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-3-4-15-8-7(14(2)5-11-8)9-13-12-6-16(9)10(15)17/h5-6H,3-4H2,1-2H3.
What are the key properties of 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one?
9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one has a molecular weight of 232.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one is sourced from PubChem (CID 3077754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).