1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine

C10H13BrN4S — CID 16753771

IUPAC1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)Sc1nc(Br)c2c(N)nccn12
InChIInChI=1S/C10H13BrN4S/c1-10(2,3)16-9-14-7(11)6-8(12)13-4-5-15(6)9/h4-5H,1-3H3,(H2,12,13)
InChIKeyHXQWYHYOZJDQFM-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.96
Rot. Bonds1

About 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine

1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 16753771) has the molecular formula C10H13BrN4S and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine
PubChem CID16753771
Molecular FormulaC10H13BrN4S
Molecular Weight301.21 g/mol
Exact Mass300.00
IUPAC Name1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine
SMILESCC(C)(C)Sc1nc(Br)c2c(N)nccn12
InChIInChI=1S/C10H13BrN4S/c1-10(2,3)16-9-14-7(11)6-8(12)13-4-5-15(6)9/h4-5H,1-3H3,(H2,12,13)
InChIKeyHXQWYHYOZJDQFM-UHFFFAOYSA-N
XLogP2.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine (CID 16753771) is 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine is CC(C)(C)Sc1nc(Br)c2c(N)nccn12.
What is the InChIKey of 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is HXQWYHYOZJDQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4S/c1-10(2,3)16-9-14-7(11)6-8(12)13-4-5-15(6)9/h4-5H,1-3H3,(H2,12,13).
What are the key properties of 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 301.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 16753771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).