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

C9H12N2O2 — CID 71758755

IUPAC3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C9H12N2O2/c1-6-10-8(9(12)13)7-4-2-3-5-11(6)7/h2-5H2,1H3,(H,12,13)
InChIKeyJTJIZTHEGKQKQG-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.23
Rot. Bonds1

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

3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 71758755) 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-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID71758755
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C9H12N2O2/c1-6-10-8(9(12)13)7-4-2-3-5-11(6)7/h2-5H2,1H3,(H,12,13)
InChIKeyJTJIZTHEGKQKQG-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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-1-carboxylic acid?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 71758755) is 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1nc(C(=O)O)c2n1CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JTJIZTHEGKQKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-10-8(9(12)13)7-4-2-3-5-11(6)7/h2-5H2,1H3,(H,12,13).
What are the key properties of 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.23, 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-1-carboxylic acid is sourced from PubChem (CID 71758755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).