3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine

C12H14ClIN4 — CID 86636023

IUPAC3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C12H14ClIN4/c1-17(2)8-5-7(6-8)12-16-11(14)9-10(13)15-3-4-18(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBVXURJFFRJFDEG-UHFFFAOYSA-N
MW376.63 g/mol
LogP2.79
Rot. Bonds2

About 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine

3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 86636023) has the molecular formula C12H14ClIN4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine
PubChem CID86636023
Molecular FormulaC12H14ClIN4
Molecular Weight376.63 g/mol
Exact Mass376.00
IUPAC Name3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CC(c2nc(I)c3c(Cl)nccn23)C1
InChIInChI=1S/C12H14ClIN4/c1-17(2)8-5-7(6-8)12-16-11(14)9-10(13)15-3-4-18(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBVXURJFFRJFDEG-UHFFFAOYSA-N
XLogP2.79
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine (CID 86636023) is 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine is CN(C)C1CC(c2nc(I)c3c(Cl)nccn23)C1.
What is the InChIKey of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is BVXURJFFRJFDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN4/c1-17(2)8-5-7(6-8)12-16-11(14)9-10(13)15-3-4-18(9)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine?
3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 376.63 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-1-iodoimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 86636023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).