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

C12H19N3O2 — CID 117247241

IUPAC3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCn2c(CN(C)C)nc(C(=O)O)c2C1
InChIInChI=1S/C12H19N3O2/c1-8-4-5-15-9(6-8)11(12(16)17)13-10(15)7-14(2)3/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyXZHVWDCCPVGCCL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds3

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

3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117247241) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117247241
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC1CCn2c(CN(C)C)nc(C(=O)O)c2C1
InChIInChI=1S/C12H19N3O2/c1-8-4-5-15-9(6-8)11(12(16)17)13-10(15)7-14(2)3/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyXZHVWDCCPVGCCL-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117247241) is 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC1CCn2c(CN(C)C)nc(C(=O)O)c2C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is XZHVWDCCPVGCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-5-15-9(6-8)11(12(16)17)13-10(15)7-14(2)3/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117247241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).