8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine

C10H12FN3 — CID 166941635

IUPAC8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1ncc(F)n2cncc12
InChIInChI=1S/C10H12FN3/c1-10(2,3)9-7-4-12-6-14(7)8(11)5-13-9/h4-6H,1-3H3
InChIKeyCGSFLIJTRQKKHQ-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.17
Rot. Bonds

About 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine

8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine (PubChem CID 166941635) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine
PubChem CID166941635
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1ncc(F)n2cncc12
InChIInChI=1S/C10H12FN3/c1-10(2,3)9-7-4-12-6-14(7)8(11)5-13-9/h4-6H,1-3H3
InChIKeyCGSFLIJTRQKKHQ-UHFFFAOYSA-N
XLogP2.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine?
The IUPAC name of 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine (CID 166941635) is 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine?
The canonical SMILES for 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine is CC(C)(C)c1ncc(F)n2cncc12.
What is the InChIKey of 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine?
The InChIKey is CGSFLIJTRQKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-10(2,3)9-7-4-12-6-14(7)8(11)5-13-9/h4-6H,1-3H3.
What are the key properties of 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine?
8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine has a molecular weight of 193.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-fluoroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 166941635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).