2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine

C13H19N3S — CID 162356505

IUPAC2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
SMILESCC(C)Sc1cccn2c(C(C)(C)N)ncc12
InChIInChI=1S/C13H19N3S/c1-9(2)17-11-6-5-7-16-10(11)8-15-12(16)13(3,4)14/h5-9H,14H2,1-4H3
InChIKeyBYHQQOLOFBGJLZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.03
Rot. Bonds3

About 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine

2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine (PubChem CID 162356505) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
PubChem CID162356505
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
SMILESCC(C)Sc1cccn2c(C(C)(C)N)ncc12
InChIInChI=1S/C13H19N3S/c1-9(2)17-11-6-5-7-16-10(11)8-15-12(16)13(3,4)14/h5-9H,14H2,1-4H3
InChIKeyBYHQQOLOFBGJLZ-UHFFFAOYSA-N
XLogP3.03
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The IUPAC name of 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine (CID 162356505) is 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine.
What is the SMILES notation for 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The canonical SMILES for 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine is CC(C)Sc1cccn2c(C(C)(C)N)ncc12.
What is the InChIKey of 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The InChIKey is BYHQQOLOFBGJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)17-11-6-5-7-16-10(11)8-15-12(16)13(3,4)14/h5-9H,14H2,1-4H3.
What are the key properties of 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-propan-2-ylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine is sourced from PubChem (CID 162356505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).