3-methyl-4H-imidazo[1,2-a]purin-9-one

C8H7N5O — CID 11528483

IUPAC3-methyl-4H-imidazo[1,2-a]purin-9-one
SMILESCn1cnc2c(=O)n3ccnc3[nH]c21
InChIInChI=1S/C8H7N5O/c1-12-4-10-5-6(12)11-8-9-2-3-13(8)7(5)14/h2-4H,1H3,(H,9,11)
InChIKeyHXLBJJXDKFRMHH-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.09
Rot. Bonds

About 3-methyl-4H-imidazo[1,2-a]purin-9-one

3-methyl-4H-imidazo[1,2-a]purin-9-one (PubChem CID 11528483) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 3-methyl-4H-imidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name3-methyl-4H-imidazo[1,2-a]purin-9-one
PubChem CID11528483
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name3-methyl-4H-imidazo[1,2-a]purin-9-one
SMILESCn1cnc2c(=O)n3ccnc3[nH]c21
InChIInChI=1S/C8H7N5O/c1-12-4-10-5-6(12)11-8-9-2-3-13(8)7(5)14/h2-4H,1H3,(H,9,11)
InChIKeyHXLBJJXDKFRMHH-UHFFFAOYSA-N
XLogP-0.09
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-imidazo[1,2-a]purin-9-one?
The IUPAC name of 3-methyl-4H-imidazo[1,2-a]purin-9-one (CID 11528483) is 3-methyl-4H-imidazo[1,2-a]purin-9-one.
What is the SMILES notation for 3-methyl-4H-imidazo[1,2-a]purin-9-one?
The canonical SMILES for 3-methyl-4H-imidazo[1,2-a]purin-9-one is Cn1cnc2c(=O)n3ccnc3[nH]c21.
What is the InChIKey of 3-methyl-4H-imidazo[1,2-a]purin-9-one?
The InChIKey is HXLBJJXDKFRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-12-4-10-5-6(12)11-8-9-2-3-13(8)7(5)14/h2-4H,1H3,(H,9,11).
What are the key properties of 3-methyl-4H-imidazo[1,2-a]purin-9-one?
3-methyl-4H-imidazo[1,2-a]purin-9-one has a molecular weight of 189.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-imidazo[1,2-a]purin-9-one is sourced from PubChem (CID 11528483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).