1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

C8H9N5O — CID 135921138

IUPAC1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCn1cnc2nc(=O)n3c(c21)NCC3
InChIInChI=1S/C8H9N5O/c1-12-4-10-6-5(12)7-9-2-3-13(7)8(14)11-6/h4,9H,2-3H2,1H3
InChIKeyAJTLNYPOVLCLIT-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.44
Rot. Bonds

About 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135921138) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135921138
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCn1cnc2nc(=O)n3c(c21)NCC3
InChIInChI=1S/C8H9N5O/c1-12-4-10-6-5(12)7-9-2-3-13(7)8(14)11-6/h4,9H,2-3H2,1H3
InChIKeyAJTLNYPOVLCLIT-UHFFFAOYSA-N
XLogP-0.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-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 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135921138) is 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is Cn1cnc2nc(=O)n3c(c21)NCC3.
What is the InChIKey of 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is AJTLNYPOVLCLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-12-4-10-6-5(12)7-9-2-3-13(7)8(14)11-6/h4,9H,2-3H2,1H3.
What are the key properties of 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 191.19 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135921138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).