7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one

C13H16N8O2 — CID 166341549

IUPAC7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one
SMILESCc1nc(N2CCN(c3nc4ncn(C)c4c(=O)[nH]3)CC2)no1
InChIInChI=1S/C13H16N8O2/c1-8-15-13(18-23-8)21-5-3-20(4-6-21)12-16-10-9(11(22)17-12)19(2)7-14-10/h7H,3-6H2,1-2H3,(H,16,17,22)
InChIKeyMMYPZCLRAWHPDH-UHFFFAOYSA-N
MW316.33 g/mol
LogP-0.33
Rot. Bonds2

About 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one

7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one (PubChem CID 166341549) has the molecular formula C13H16N8O2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one.

Molecular Properties

Compound Name7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one
PubChem CID166341549
Molecular FormulaC13H16N8O2
Molecular Weight316.33 g/mol
Exact Mass316.14
IUPAC Name7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one
SMILESCc1nc(N2CCN(c3nc4ncn(C)c4c(=O)[nH]3)CC2)no1
InChIInChI=1S/C13H16N8O2/c1-8-15-13(18-23-8)21-5-3-20(4-6-21)12-16-10-9(11(22)17-12)19(2)7-14-10/h7H,3-6H2,1-2H3,(H,16,17,22)
InChIKeyMMYPZCLRAWHPDH-UHFFFAOYSA-N
XLogP-0.33
TPSA108.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one 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 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one?
The IUPAC name of 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one (CID 166341549) is 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one.
What is the SMILES notation for 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one?
The canonical SMILES for 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one is Cc1nc(N2CCN(c3nc4ncn(C)c4c(=O)[nH]3)CC2)no1.
What is the InChIKey of 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one?
The InChIKey is MMYPZCLRAWHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8O2/c1-8-15-13(18-23-8)21-5-3-20(4-6-21)12-16-10-9(11(22)17-12)19(2)7-14-10/h7H,3-6H2,1-2H3,(H,16,17,22).
What are the key properties of 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one?
7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one has a molecular weight of 316.33 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-1H-purin-6-one is sourced from PubChem (CID 166341549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).