(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride

C10H16Cl2F3N3O — CID 153311264

IUPAC(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride
SMILESC[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cl.Cl
InChIInChI=1S/C10H14F3N3O.2ClH/c1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13;;/h5-6,14,17H,3-4H2,1-2H3;2*1H/t6-,9+;;/m0../s1
InChIKeyJXJXMQWAOXAYCY-JYBVLTNNSA-N
MW322.16 g/mol
LogP2.16
Rot. Bonds1

About (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride

(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride (PubChem CID 153311264) has the molecular formula C10H16Cl2F3N3O and a molecular weight of 322.16 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride
PubChem CID153311264
Molecular FormulaC10H16Cl2F3N3O
Molecular Weight322.16 g/mol
Exact Mass321.06
IUPAC Name(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride
SMILESC[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cl.Cl
InChIInChI=1S/C10H14F3N3O.2ClH/c1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13;;/h5-6,14,17H,3-4H2,1-2H3;2*1H/t6-,9+;;/m0../s1
InChIKeyJXJXMQWAOXAYCY-JYBVLTNNSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride
CID 155173395
(2R)-1,1,1-trifluoro-2-[(7S)-7-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-4,6,9,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]propan-2-ol
CID 167319587
(4-cyclopropylphenyl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 147813920
(2R)-2-[(7S)-11-bromo-7-methyl-4,6,9,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl]-1,1,1-trifluoropropan-2-ol
CID 167497418
1,1,1,3,3,3-hexafluoro-2-[(8S)-8-methyl-10-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl]propan-2-ol
CID 167319606
2-(5-cyclopropyl-8-methyl-3-oxa-4,9,11-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraen-10-yl)-1,1,1-trifluoropropan-2-ol
CID 156847135
[4-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 155196869
[4-fluoro-3-(3-fluoro-4-pyridinyl)phenyl]-[(5S)-5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 155196838
(2R)-1,1,1-trifluoro-2-[(7S)-11-[3-(2-hydroxypropan-2-yl)-1-bicyclo[1.1.1]pentanyl]-7-methyl-4,6,9,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-5-yl]propan-2-ol
CID 175664204
(2,2-difluoro-1,3-benzodioxol-5-yl)-[5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 155173370
[6-(4-fluorophenyl)-2-pyridinyl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 153311255
(4-chloro-3-cyclopropyl-1-methylpyrazol-5-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 153311210

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride?
The IUPAC name of (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride (CID 153311264) is (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride is C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cl.Cl.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride?
The InChIKey is JXJXMQWAOXAYCY-JYBVLTNNSA-N. The full InChI is InChI=1S/C10H14F3N3O.2ClH/c1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13;;/h5-6,14,17H,3-4H2,1-2H3;2*1H/t6-,9+;;/m0../s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride?
(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride has a molecular weight of 322.16 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol;dihydrochloride is sourced from PubChem (CID 153311264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).