[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine

C12H15N3S — CID 117143269

IUPAC[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(C3CCCS3)ncc2c1
InChIInChI=1S/C12H15N3S/c13-7-9-3-4-15-10(6-9)8-14-12(15)11-2-1-5-16-11/h3-4,6,8,11H,1-2,5,7,13H2
InChIKeySLAPOPRIDADVJG-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.36
Rot. Bonds2

About [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine

[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine (PubChem CID 117143269) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
PubChem CID117143269
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(C3CCCS3)ncc2c1
InChIInChI=1S/C12H15N3S/c13-7-9-3-4-15-10(6-9)8-14-12(15)11-2-1-5-16-11/h3-4,6,8,11H,1-2,5,7,13H2
InChIKeySLAPOPRIDADVJG-UHFFFAOYSA-N
XLogP2.36
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine (CID 117143269) is [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine is NCc1ccn2c(C3CCCS3)ncc2c1.
What is the InChIKey of [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The InChIKey is SLAPOPRIDADVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-7-9-3-4-15-10(6-9)8-14-12(15)11-2-1-5-16-11/h3-4,6,8,11H,1-2,5,7,13H2.
What are the key properties of [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).