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

C11H17N3O2 — CID 116984197

IUPAC3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCNCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C11H17N3O2/c1-2-12-7-9-13-10(11(15)16)8-5-3-4-6-14(8)9/h12H,2-7H2,1H3,(H,15,16)
InChIKeyOMPCWCNKADFCNH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.03
Rot. Bonds4

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

3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984197) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984197
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCNCc1nc(C(=O)O)c2n1CCCC2
InChIInChI=1S/C11H17N3O2/c1-2-12-7-9-13-10(11(15)16)8-5-3-4-6-14(8)9/h12H,2-7H2,1H3,(H,15,16)
InChIKeyOMPCWCNKADFCNH-UHFFFAOYSA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclobutylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247232
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247796
3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247244
3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984242
3-(3-aminobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984193
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984206
3-(morpholin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984248
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
CID 107077197
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117248071
7-methyl-3-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247240

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984197) is 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CCNCc1nc(C(=O)O)c2n1CCCC2.
What is the InChIKey of 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is OMPCWCNKADFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-12-7-9-13-10(11(15)16)8-5-3-4-6-14(8)9/h12H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).