1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine

C10H12FN3 — CID 153470243

IUPAC1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1nc(F)n2ccncc12
InChIInChI=1S/C10H12FN3/c1-10(2,3)8-7-6-12-4-5-14(7)9(11)13-8/h4-6H,1-3H3
InChIKeyXHUMMNPFGSPJTD-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.17
Rot. Bonds

About 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine

1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine (PubChem CID 153470243) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine
PubChem CID153470243
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1nc(F)n2ccncc12
InChIInChI=1S/C10H12FN3/c1-10(2,3)8-7-6-12-4-5-14(7)9(11)13-8/h4-6H,1-3H3
InChIKeyXHUMMNPFGSPJTD-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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Related Compounds

2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
7-(1-Propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 95826739
5-(1-Methylpyrrolidin-2-yl)imidazo[1,2-a]pyrimidine
CID 118739847
7-(1-Methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 118740384
1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide
CID 134787988
Sdccgsbi-0662767.P001
CID 134790895
1,3a,7-Triazaindene, 2,4,6-trimethyl-
CID 21822693
N,N-dimethyl-1-(3-methylimidazo[1,5-a]pyrazin-1-yl)methanamine
CID 296225
5,7-Di(propan-2-yl)imidazo[1,2-a]pyrimidine
CID 168339361
6-Fluoro-7-methylimidazo[1,2-a]pyrimidine
CID 45088310
7-Tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 57813875

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine?
The IUPAC name of 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine (CID 153470243) is 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine is CC(C)(C)c1nc(F)n2ccncc12.
What is the InChIKey of 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine?
The InChIKey is XHUMMNPFGSPJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-10(2,3)8-7-6-12-4-5-14(7)9(11)13-8/h4-6H,1-3H3.
What are the key properties of 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine?
1-tert-butyl-3-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 1-tert-butyl-3-fluoroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 153470243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).