6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one

C8H9N3O2 — CID 91252413

IUPAC6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one
SMILESCc1c(O)n(C)c(=O)c2[nH]cnc12
InChIInChI=1S/C8H9N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3,12H,1-2H3,(H,9,10)
InChIKeyLMHKHXKANJCBFS-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.28
Rot. Bonds

About 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one

6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one (PubChem CID 91252413) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one
PubChem CID91252413
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one
SMILESCc1c(O)n(C)c(=O)c2[nH]cnc12
InChIInChI=1S/C8H9N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3,12H,1-2H3,(H,9,10)
InChIKeyLMHKHXKANJCBFS-UHFFFAOYSA-N
XLogP0.28
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one (CID 91252413) is 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one is Cc1c(O)n(C)c(=O)c2[nH]cnc12.
What is the InChIKey of 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is LMHKHXKANJCBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4-5-6(10-3-9-5)8(13)11(2)7(4)12/h3,12H,1-2H3,(H,9,10).
What are the key properties of 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one?
6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 179.18 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5,7-dimethyl-3H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 91252413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).