ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C10H15F4N3 — CID 145098152

IUPACethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC.Cc1nc(C(F)(F)F)n2c1CN(F)CC2
InChIInChI=1S/C8H9F4N3.C2H6/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11;1-2/h2-4H2,1H3;1-2H3
InChIKeyCZSIFEWKQULBBO-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.94
Rot. Bonds

About ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 145098152) has the molecular formula C10H15F4N3 and a molecular weight of 253.24 g/mol. Its IUPAC name is ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Nameethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID145098152
Molecular FormulaC10H15F4N3
Molecular Weight253.24 g/mol
Exact Mass253.12
IUPAC Nameethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC.Cc1nc(C(F)(F)F)n2c1CN(F)CC2
InChIInChI=1S/C8H9F4N3.C2H6/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11;1-2/h2-4H2,1H3;1-2H3
InChIKeyCZSIFEWKQULBBO-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 145098152) is ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC.Cc1nc(C(F)(F)F)n2c1CN(F)CC2.
What is the InChIKey of ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is CZSIFEWKQULBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3.C2H6/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 253.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 145098152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).