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

C8H9F4N3 — CID 145098153

IUPAC7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(C(F)(F)F)n2c1CN(F)CC2
InChIInChI=1S/C8H9F4N3/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11/h2-4H2,1H3
InChIKeyBADFDJXTMFEVGE-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.91
Rot. Bonds

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

7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 145098153) has the molecular formula C8H9F4N3 and a molecular weight of 223.17 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID145098153
Molecular FormulaC8H9F4N3
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(C(F)(F)F)n2c1CN(F)CC2
InChIInChI=1S/C8H9F4N3/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11/h2-4H2,1H3
InChIKeyBADFDJXTMFEVGE-UHFFFAOYSA-N
XLogP1.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 145098152
1-ethyl-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 121405546
7-methyl-1-propyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 162606875
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid
CID 91231763
1-(dimethylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 141185797
1,3,7-trimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 170109328
1-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-chloroethanone
CID 154879593
3,5-dimethyl-2-(trifluoromethyl)imidazol-4-amine
CID 82373975
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
1-(7-methyltridecan-7-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 146600279
tert-butyl 1-(2-oxopropylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 157300836
7-(3-formamidobutanoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 143827436

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 145098153) is 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1nc(C(F)(F)F)n2c1CN(F)CC2.
What is the InChIKey of 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is BADFDJXTMFEVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11/h2-4H2,1H3.
What are the key properties of 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 223.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 145098153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).