5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid

C13H22F3N5O4S — CID 155824863

IUPAC5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC1CN(S(=O)(=O)N(C)C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N5O2S.C2HF3O2/c1-13(2)6-11-8-15(19(17,18)14(3)4)7-10-5-12-9-16(10)11;3-2(4,5)1(6)7/h5,9,11H,6-8H2,1-4H3;(H,6,7)
InChIKeyHYDXPXFKIFWDAB-UHFFFAOYSA-N
MW401.41 g/mol
LogP0.24
Rot. Bonds4

About 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid

5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155824863) has the molecular formula C13H22F3N5O4S and a molecular weight of 401.41 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155824863
Molecular FormulaC13H22F3N5O4S
Molecular Weight401.41 g/mol
Exact Mass401.13
IUPAC Name5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC1CN(S(=O)(=O)N(C)C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N5O2S.C2HF3O2/c1-13(2)6-11-8-15(19(17,18)14(3)4)7-10-5-12-9-16(10)11;3-2(4,5)1(6)7/h5,9,11H,6-8H2,1-4H3;(H,6,7)
InChIKeyHYDXPXFKIFWDAB-UHFFFAOYSA-N
XLogP0.24
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid (CID 155824863) is 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid is CN(C)CC1CN(S(=O)(=O)N(C)C)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is HYDXPXFKIFWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S.C2HF3O2/c1-13(2)6-11-8-15(19(17,18)14(3)4)7-10-5-12-9-16(10)11;3-2(4,5)1(6)7/h5,9,11H,6-8H2,1-4H3;(H,6,7).
What are the key properties of 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 401.41 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).