tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C12H17F3N4O2 — CID 143807519

IUPACtert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(N)c2C1
InChIInChI=1S/C12H17F3N4O2/c1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(16)17-9(19)12(13,14)15/h4-6,16H2,1-3H3
InChIKeyBGEAGPOJGZZTKO-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.23
Rot. Bonds

About tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 143807519) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID143807519
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Nametert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(N)c2C1
InChIInChI=1S/C12H17F3N4O2/c1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(16)17-9(19)12(13,14)15/h4-6,16H2,1-3H3
InChIKeyBGEAGPOJGZZTKO-UHFFFAOYSA-N
XLogP2.23
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 143807519) is tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(N)c2C1.
What is the InChIKey of tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is BGEAGPOJGZZTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(16)17-9(19)12(13,14)15/h4-6,16H2,1-3H3.
What are the key properties of tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-amino-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 143807519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).