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

C19H14N6O — CID 3077750

IUPAC9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCn1cnc2c1c1nnc(-c3ccccc3)n1c(=O)n2-c1ccccc1
InChIInChI=1S/C19H14N6O/c1-23-12-20-17-15(23)18-22-21-16(13-8-4-2-5-9-13)25(18)19(26)24(17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyDRHMGRRNLNWDMD-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.43
Rot. Bonds2

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

9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one (PubChem CID 3077750) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one.

Molecular Properties

Compound Name9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one
PubChem CID3077750
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one
SMILESCn1cnc2c1c1nnc(-c3ccccc3)n1c(=O)n2-c1ccccc1
InChIInChI=1S/C19H14N6O/c1-23-12-20-17-15(23)18-22-21-16(13-8-4-2-5-9-13)25(18)19(26)24(17)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyDRHMGRRNLNWDMD-UHFFFAOYSA-N
XLogP2.43
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one?
The IUPAC name of 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one (CID 3077750) is 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one.
What is the SMILES notation for 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one?
The canonical SMILES for 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one is Cn1cnc2c1c1nnc(-c3ccccc3)n1c(=O)n2-c1ccccc1.
What is the InChIKey of 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one?
The InChIKey is DRHMGRRNLNWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-23-12-20-17-15(23)18-22-21-16(13-8-4-2-5-9-13)25(18)19(26)24(17)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one?
9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one has a molecular weight of 342.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,6-diphenyl-[1,2,4]triazolo[3,4-f]purin-5-one is sourced from PubChem (CID 3077750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).