1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one

C6H7N3O — CID 22086934

IUPAC1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2[nH]cnc21
InChIInChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)8-3-9-5/h3H,1-2H2,(H,7,10)(H,8,9)
InChIKeyWXQGEEXSJLMRKY-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.30
Rot. Bonds

About 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one

1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one (PubChem CID 22086934) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
PubChem CID22086934
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2[nH]cnc21
InChIInChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)8-3-9-5/h3H,1-2H2,(H,7,10)(H,8,9)
InChIKeyWXQGEEXSJLMRKY-UHFFFAOYSA-N
XLogP-0.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one (CID 22086934) is 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one is O=C1NCCc2[nH]cnc21.
What is the InChIKey of 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is WXQGEEXSJLMRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)8-3-9-5/h3H,1-2H2,(H,7,10)(H,8,9).
What are the key properties of 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one?
1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 137.14 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22086934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).