1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C14H22F3N3 — CID 138649494

IUPAC1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1CCn2c(C(F)(F)F)nc(C(C)(C)C)c2C1
InChIInChI=1S/C14H22F3N3/c1-9(2)19-6-7-20-10(8-19)11(13(3,4)5)18-12(20)14(15,16)17/h9H,6-8H2,1-5H3
InChIKeyZEUPCJUZDUOCOK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.42
Rot. Bonds1

About 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 138649494) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID138649494
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1CCn2c(C(F)(F)F)nc(C(C)(C)C)c2C1
InChIInChI=1S/C14H22F3N3/c1-9(2)19-6-7-20-10(8-19)11(13(3,4)5)18-12(20)14(15,16)17/h9H,6-8H2,1-5H3
InChIKeyZEUPCJUZDUOCOK-UHFFFAOYSA-N
XLogP3.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 138649494) is 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)N1CCn2c(C(F)(F)F)nc(C(C)(C)C)c2C1.
What is the InChIKey of 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is ZEUPCJUZDUOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-9(2)19-6-7-20-10(8-19)11(13(3,4)5)18-12(20)14(15,16)17/h9H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 289.35 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 138649494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).