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

C15H21F3N4O3 — CID 141185788

IUPACtert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(=O)N(C)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H21F3N4O3/c1-9(23)20(5)11-10-8-21(13(24)25-14(2,3)4)6-7-22(10)12(19-11)15(16,17)18/h6-8H2,1-5H3
InChIKeyYDUXGYDLPMCNOY-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.64
Rot. Bonds1

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

tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 141185788) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID141185788
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Nametert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(=O)N(C)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H21F3N4O3/c1-9(23)20(5)11-10-8-21(13(24)25-14(2,3)4)6-7-22(10)12(19-11)15(16,17)18/h6-8H2,1-5H3
InChIKeyYDUXGYDLPMCNOY-UHFFFAOYSA-N
XLogP2.64
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 141185788) is tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(=O)N(C)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is YDUXGYDLPMCNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-9(23)20(5)11-10-8-21(13(24)25-14(2,3)4)6-7-22(10)12(19-11)15(16,17)18/h6-8H2,1-5H3.
What are the key properties of tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 362.35 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[acetyl(methyl)amino]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 141185788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).