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

C9H12F3N3 — CID 121390315

IUPAC1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(C(F)(F)F)n2c1CN(C)CC2
InChIInChI=1S/C9H12F3N3/c1-6-7-5-14(2)3-4-15(7)8(13-6)9(10,11)12/h3-5H2,1-2H3
InChIKeyWNGAWTSBBNJIGE-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.66
Rot. Bonds

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

1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 121390315) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID121390315
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(C(F)(F)F)n2c1CN(C)CC2
InChIInChI=1S/C9H12F3N3/c1-6-7-5-14(2)3-4-15(7)8(13-6)9(10,11)12/h3-5H2,1-2H3
InChIKeyWNGAWTSBBNJIGE-UHFFFAOYSA-N
XLogP1.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 121390315) is 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1nc(C(F)(F)F)n2c1CN(C)CC2.
What is the InChIKey of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is WNGAWTSBBNJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-7-5-14(2)3-4-15(7)8(13-6)9(10,11)12/h3-5H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 219.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 121390315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).