N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride

C10H14ClF3N4O — CID 141185786

IUPACN-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)N(C)c1nc(C(F)(F)F)n2c1CNCC2.Cl
InChIInChI=1S/C10H13F3N4O.ClH/c1-6(18)16(2)8-7-5-14-3-4-17(7)9(15-8)10(11,12)13;/h14H,3-5H2,1-2H3;1H
InChIKeyPMOMUECRYQIIGZ-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.41
Rot. Bonds1

About N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride

N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride (PubChem CID 141185786) has the molecular formula C10H14ClF3N4O and a molecular weight of 298.70 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride
PubChem CID141185786
Molecular FormulaC10H14ClF3N4O
Molecular Weight298.70 g/mol
Exact Mass298.08
IUPAC NameN-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)N(C)c1nc(C(F)(F)F)n2c1CNCC2.Cl
InChIInChI=1S/C10H13F3N4O.ClH/c1-6(18)16(2)8-7-5-14-3-4-17(7)9(15-8)10(11,12)13;/h14H,3-5H2,1-2H3;1H
InChIKeyPMOMUECRYQIIGZ-UHFFFAOYSA-N
XLogP1.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride (CID 141185786) is N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride is CC(=O)N(C)c1nc(C(F)(F)F)n2c1CNCC2.Cl.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride?
The InChIKey is PMOMUECRYQIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O.ClH/c1-6(18)16(2)8-7-5-14-3-4-17(7)9(15-8)10(11,12)13;/h14H,3-5H2,1-2H3;1H.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride?
N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride has a molecular weight of 298.70 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 141185786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).