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

C14H19F3N4O3 — CID 76849813

IUPACtert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(=O)Nc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H19F3N4O3/c1-8(22)18-10-9-7-20(12(23)24-13(2,3)4)5-6-21(9)11(19-10)14(15,16)17/h5-7H2,1-4H3,(H,18,22)
InChIKeySNDPKAINWFURLX-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.61
Rot. Bonds1

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

tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 76849813) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID76849813
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Nametert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(=O)Nc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H19F3N4O3/c1-8(22)18-10-9-7-20(12(23)24-13(2,3)4)5-6-21(9)11(19-10)14(15,16)17/h5-7H2,1-4H3,(H,18,22)
InChIKeySNDPKAINWFURLX-UHFFFAOYSA-N
XLogP2.61
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 76849813) is tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(=O)Nc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is SNDPKAINWFURLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-8(22)18-10-9-7-20(12(23)24-13(2,3)4)5-6-21(9)11(19-10)14(15,16)17/h5-7H2,1-4H3,(H,18,22).
What are the key properties of tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 348.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-acetamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 76849813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).