3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C9H12N2O2 — CID 83828166

IUPAC3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ncc2n1CCCC2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-10-5-8-7(9(12)13)3-2-4-11(6)8/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyRMSRNRGQHJYBBE-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.15
Rot. Bonds1

About 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 83828166) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID83828166
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ncc2n1CCCC2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-10-5-8-7(9(12)13)3-2-4-11(6)8/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyRMSRNRGQHJYBBE-UHFFFAOYSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 83828166) is 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is Cc1ncc2n1CCCC2C(=O)O.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is RMSRNRGQHJYBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-10-5-8-7(9(12)13)3-2-4-11(6)8/h5,7H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83828166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).