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

C11H17N3O2 — CID 117247779

IUPAC5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCCc1nc(C(=O)O)c2n1C(N)CCC2
InChIInChI=1S/C11H17N3O2/c1-2-4-9-13-10(11(15)16)7-5-3-6-8(12)14(7)9/h8H,2-6,12H2,1H3,(H,15,16)
InChIKeyGAKPZGQIFZZUKU-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.33
Rot. Bonds3

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

5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117247779) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117247779
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCCCc1nc(C(=O)O)c2n1C(N)CCC2
InChIInChI=1S/C11H17N3O2/c1-2-4-9-13-10(11(15)16)7-5-3-6-8(12)14(7)9/h8H,2-6,12H2,1H3,(H,15,16)
InChIKeyGAKPZGQIFZZUKU-UHFFFAOYSA-N
XLogP1.33
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117247779) is 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CCCc1nc(C(=O)O)c2n1C(N)CCC2.
What is the InChIKey of 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is GAKPZGQIFZZUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-4-9-13-10(11(15)16)7-5-3-6-8(12)14(7)9/h8H,2-6,12H2,1H3,(H,15,16).
What are the key properties of 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117247779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).