8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C12H16N4O2 — CID 117254986

IUPAC8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNC(C)Cc1nc(C(=O)O)c2c(N)cccn12
InChIInChI=1S/C12H16N4O2/c1-7(14-2)6-9-15-10(12(17)18)11-8(13)4-3-5-16(9)11/h3-5,7,14H,6,13H2,1-2H3,(H,17,18)
InChIKeyMBYRKLUUCIYCFU-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.77
Rot. Bonds4

About 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid

8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254986) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254986
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCNC(C)Cc1nc(C(=O)O)c2c(N)cccn12
InChIInChI=1S/C12H16N4O2/c1-7(14-2)6-9-15-10(12(17)18)11-8(13)4-3-5-16(9)11/h3-5,7,14H,6,13H2,1-2H3,(H,17,18)
InChIKeyMBYRKLUUCIYCFU-UHFFFAOYSA-N
XLogP0.77
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254986) is 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is CNC(C)Cc1nc(C(=O)O)c2c(N)cccn12.
What is the InChIKey of 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is MBYRKLUUCIYCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(14-2)6-9-15-10(12(17)18)11-8(13)4-3-5-16(9)11/h3-5,7,14H,6,13H2,1-2H3,(H,17,18).
What are the key properties of 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 248.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).