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

C13H24F3N3 — CID 145415805

IUPAC1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane
SMILESCC.CC.Cc1nc(C(F)(F)F)n2c1CN(C)CC2
InChIInChI=1S/C9H12F3N3.2C2H6/c1-6-7-5-14(2)3-4-15(7)8(13-6)9(10,11)12;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyFICSLSLTCTYBGD-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.71
Rot. Bonds

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

1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane (PubChem CID 145415805) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane.

Molecular Properties

Compound Name1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane
PubChem CID145415805
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane
SMILESCC.CC.Cc1nc(C(F)(F)F)n2c1CN(C)CC2
InChIInChI=1S/C9H12F3N3.2C2H6/c1-6-7-5-14(2)3-4-15(7)8(13-6)9(10,11)12;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyFICSLSLTCTYBGD-UHFFFAOYSA-N
XLogP3.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 74889028
1-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine hydrochloride
CID 155822760
2-[4,5-Dimethyl-1,3-di(propan-2-yl)imidazol-1-ium-2-yl]-4,6-difluoro-1,3,5-triazine
CID 102297975
3-Methyl-5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 57931370
Imidazo[1,5-a]pyrazine-1-carbonitrile,5,6,7,8-tetrahydro-3-(trifluoromethyl)-
CID 68011870
3,5-Dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 70875703
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-amine
CID 74892051
1-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 76849743
Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-1-methyl-3-(trifluoromethyl)-
CID 76849746
CID 88553464
CID 88553464
1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 121390315
1-ethyl-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 121405546

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane?
The IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane (CID 145415805) is 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane.
What is the SMILES notation for 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane?
The canonical SMILES for 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane is CC.CC.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;ethane?
The InChIKey is FICSLSLTCTYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.2C2H6/c1-6-7-5-14(2)3-4-15(7)8(13-6)9(10,11)12;2*1-2/h3-5H2,1-2H3;2*1-2H3.
What are the key properties of 1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane?
1,7-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane has a molecular weight of 279.35 g/mol, XLogP of 3.71, 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;ethane is sourced from PubChem (CID 145415805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).