N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

C11H17F3N4O4S — CID 155823603

IUPACN-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN1Cc2cncn2C(CNS(C)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N4O2S.C2HF3O2/c1-12-5-8-3-10-7-13(8)9(6-12)4-11-16(2,14)15;3-2(4,5)1(6)7/h3,7,9,11H,4-6H2,1-2H3;(H,6,7)
InChIKeyLQWDKTAQIQSHMF-UHFFFAOYSA-N
MW358.34 g/mol
LogP0.05
Rot. Bonds3

About N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid

N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155823603) has the molecular formula C11H17F3N4O4S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155823603
Molecular FormulaC11H17F3N4O4S
Molecular Weight358.34 g/mol
Exact Mass358.09
IUPAC NameN-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN1Cc2cncn2C(CNS(C)(=O)=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N4O2S.C2HF3O2/c1-12-5-8-3-10-7-13(8)9(6-12)4-11-16(2,14)15;3-2(4,5)1(6)7/h3,7,9,11H,4-6H2,1-2H3;(H,6,7)
InChIKeyLQWDKTAQIQSHMF-UHFFFAOYSA-N
XLogP0.05
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid (CID 155823603) is N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is CN1Cc2cncn2C(CNS(C)(=O)=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is LQWDKTAQIQSHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S.C2HF3O2/c1-12-5-8-3-10-7-13(8)9(6-12)4-11-16(2,14)15;3-2(4,5)1(6)7/h3,7,9,11H,4-6H2,1-2H3;(H,6,7).
What are the key properties of N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid?
N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 358.34 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155823603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).