7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one

C7H9N3O — CID 137319745

IUPAC7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one
SMILESCC1=CC=NC2NC(=O)NC12
InChIInChI=1S/C7H9N3O/c1-4-2-3-8-6-5(4)9-7(11)10-6/h2-3,5-6H,1H3,(H2,9,10,11)
InChIKeyGRLRPGYQDYPQRC-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.02
Rot. Bonds

About 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one

7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one (PubChem CID 137319745) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one
PubChem CID137319745
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one
SMILESCC1=CC=NC2NC(=O)NC12
InChIInChI=1S/C7H9N3O/c1-4-2-3-8-6-5(4)9-7(11)10-6/h2-3,5-6H,1H3,(H2,9,10,11)
InChIKeyGRLRPGYQDYPQRC-UHFFFAOYSA-N
XLogP0.02
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one (CID 137319745) is 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one is CC1=CC=NC2NC(=O)NC12.
What is the InChIKey of 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is GRLRPGYQDYPQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-2-3-8-6-5(4)9-7(11)10-6/h2-3,5-6H,1H3,(H2,9,10,11).
What are the key properties of 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one?
7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3,3a,7a-tetrahydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 137319745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).