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

C12H17N3S — CID 162356516

IUPAC2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
SMILESCSc1nc(C(C)(C)N)n2cccc(C)c12
InChIInChI=1S/C12H17N3S/c1-8-6-5-7-15-9(8)10(16-4)14-11(15)12(2,3)13/h5-7H,13H2,1-4H3
InChIKeyHEMCIPNBRTWXFB-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.56
Rot. Bonds2

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

2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine (PubChem CID 162356516) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
PubChem CID162356516
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine
SMILESCSc1nc(C(C)(C)N)n2cccc(C)c12
InChIInChI=1S/C12H17N3S/c1-8-6-5-7-15-9(8)10(16-4)14-11(15)12(2,3)13/h5-7H,13H2,1-4H3
InChIKeyHEMCIPNBRTWXFB-UHFFFAOYSA-N
XLogP2.56
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The IUPAC name of 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine (CID 162356516) is 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine.
What is the SMILES notation for 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The canonical SMILES for 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine is CSc1nc(C(C)(C)N)n2cccc(C)c12.
What is the InChIKey of 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
The InChIKey is HEMCIPNBRTWXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-6-5-7-15-9(8)10(16-4)14-11(15)12(2,3)13/h5-7H,13H2,1-4H3.
What are the key properties of 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine?
2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-1-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-amine is sourced from PubChem (CID 162356516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).