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

C14H21F3N4O4S — CID 155839945

IUPAC1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)CC1CN(S(=O)(=O)C2CC2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N4O2S.C2HF3O2/c1-14(2)6-11-8-15(19(17,18)12-3-4-12)7-10-5-13-9-16(10)11;3-2(4,5)1(6)7/h5,9,11-12H,3-4,6-8H2,1-2H3;(H,6,7)
InChIKeyMNZRUUKCNMAONX-UHFFFAOYSA-N
MW398.41 g/mol
LogP0.93
Rot. Bonds4

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

1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155839945) has the molecular formula C14H21F3N4O4S and a molecular weight of 398.41 g/mol. Its IUPAC name is 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID155839945
Molecular FormulaC14H21F3N4O4S
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)CC1CN(S(=O)(=O)C2CC2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C12H20N4O2S.C2HF3O2/c1-14(2)6-11-8-15(19(17,18)12-3-4-12)7-10-5-13-9-16(10)11;3-2(4,5)1(6)7/h5,9,11-12H,3-4,6-8H2,1-2H3;(H,6,7)
InChIKeyMNZRUUKCNMAONX-UHFFFAOYSA-N
XLogP0.93
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;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 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid (CID 155839945) is 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid is CN(C)CC1CN(S(=O)(=O)C2CC2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is MNZRUUKCNMAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S.C2HF3O2/c1-14(2)6-11-8-15(19(17,18)12-3-4-12)7-10-5-13-9-16(10)11;3-2(4,5)1(6)7/h5,9,11-12H,3-4,6-8H2,1-2H3;(H,6,7).
What are the key properties of 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 398.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).