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

C14H23F3N4O4S — CID 155831126

IUPACN-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(CC)Cc1cn2c(n1)CN(S(C)(=O)=O)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4O2S.C2HF3O2/c1-4-14(5-2)8-11-9-15-6-7-16(19(3,17)18)10-12(15)13-11;3-2(4,5)1(6)7/h9H,4-8,10H2,1-3H3;(H,6,7)
InChIKeyWUGPNPOGOUJQKO-UHFFFAOYSA-N
MW400.42 g/mol
LogP1.13
Rot. Bonds5

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

N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155831126) has the molecular formula C14H23F3N4O4S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID155831126
Molecular FormulaC14H23F3N4O4S
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(CC)Cc1cn2c(n1)CN(S(C)(=O)=O)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4O2S.C2HF3O2/c1-4-14(5-2)8-11-9-15-6-7-16(19(3,17)18)10-12(15)13-11;3-2(4,5)1(6)7/h9H,4-8,10H2,1-3H3;(H,6,7)
InChIKeyWUGPNPOGOUJQKO-UHFFFAOYSA-N
XLogP1.13
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;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 N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid (CID 155831126) is N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid is CCN(CC)Cc1cn2c(n1)CN(S(C)(=O)=O)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is WUGPNPOGOUJQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S.C2HF3O2/c1-4-14(5-2)8-11-9-15-6-7-16(19(3,17)18)10-12(15)13-11;3-2(4,5)1(6)7/h9H,4-8,10H2,1-3H3;(H,6,7).
What are the key properties of N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 400.42 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).