3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile

C11H13N5 — CID 84740091

IUPAC3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCN(C)c1cccc2c(C#N)nc(CN)n12
InChIInChI=1S/C11H13N5/c1-15(2)11-5-3-4-9-8(6-12)14-10(7-13)16(9)11/h3-5H,7,13H2,1-2H3
InChIKeyDCOJEOHVVQHAES-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.73
Rot. Bonds2

About 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile

3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84740091) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84740091
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCN(C)c1cccc2c(C#N)nc(CN)n12
InChIInChI=1S/C11H13N5/c1-15(2)11-5-3-4-9-8(6-12)14-10(7-13)16(9)11/h3-5H,7,13H2,1-2H3
InChIKeyDCOJEOHVVQHAES-UHFFFAOYSA-N
XLogP0.73
TPSA70.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile (CID 84740091) is 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile is CN(C)c1cccc2c(C#N)nc(CN)n12.
What is the InChIKey of 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is DCOJEOHVVQHAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-15(2)11-5-3-4-9-8(6-12)14-10(7-13)16(9)11/h3-5H,7,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile?
3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(dimethylamino)imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84740091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).