5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride

C11H15ClF3N3O2 — CID 155173395

IUPAC5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride
SMILESCC1CN(C=O)Cc2cnc(C(C)(O)C(F)(F)F)n21.Cl
InChIInChI=1S/C11H14F3N3O2.ClH/c1-7-4-16(6-18)5-8-3-15-9(17(7)8)10(2,19)11(12,13)14;/h3,6-7,19H,4-5H2,1-2H3;1H
InChIKeyJDDOYLHRMGMFRY-UHFFFAOYSA-N
MW313.71 g/mol
LogP1.61
Rot. Bonds2

About 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride

5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride (PubChem CID 155173395) has the molecular formula C11H15ClF3N3O2 and a molecular weight of 313.71 g/mol. Its IUPAC name is 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride
PubChem CID155173395
Molecular FormulaC11H15ClF3N3O2
Molecular Weight313.71 g/mol
Exact Mass313.08
IUPAC Name5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride
SMILESCC1CN(C=O)Cc2cnc(C(C)(O)C(F)(F)F)n21.Cl
InChIInChI=1S/C11H14F3N3O2.ClH/c1-7-4-16(6-18)5-8-3-15-9(17(7)8)10(2,19)11(12,13)14;/h3,6-7,19H,4-5H2,1-2H3;1H
InChIKeyJDDOYLHRMGMFRY-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride?
The IUPAC name of 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) is 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride.
What is the SMILES notation for 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride?
The canonical SMILES for 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride is CC1CN(C=O)Cc2cnc(C(C)(O)C(F)(F)F)n21.Cl.
What is the InChIKey of 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride?
The InChIKey is JDDOYLHRMGMFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2.ClH/c1-7-4-16(6-18)5-8-3-15-9(17(7)8)10(2,19)11(12,13)14;/h3,6-7,19H,4-5H2,1-2H3;1H.
What are the key properties of 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride?
5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride has a molecular weight of 313.71 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbaldehyde;hydrochloride is sourced from PubChem (CID 155173395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).