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

C15H26F3N5O4S — CID 155833574

IUPAC5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC1CN(S(=O)(=O)N(C)C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H25N5O2S.C2HF3O2/c1-5-16(6-2)8-13-10-17(21(19,20)15(3)4)9-12-7-14-11-18(12)13;3-2(4,5)1(6)7/h7,11,13H,5-6,8-10H2,1-4H3;(H,6,7)
InChIKeyNRFRKOMKHUQHES-UHFFFAOYSA-N
MW429.47 g/mol
LogP1.02
Rot. Bonds6

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

5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155833574) has the molecular formula C15H26F3N5O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155833574
Molecular FormulaC15H26F3N5O4S
Molecular Weight429.47 g/mol
Exact Mass429.17
IUPAC Name5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC1CN(S(=O)(=O)N(C)C)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H25N5O2S.C2HF3O2/c1-5-16(6-2)8-13-10-17(21(19,20)15(3)4)9-12-7-14-11-18(12)13;3-2(4,5)1(6)7/h7,11,13H,5-6,8-10H2,1-4H3;(H,6,7)
InChIKeyNRFRKOMKHUQHES-UHFFFAOYSA-N
XLogP1.02
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid (CID 155833574) is 5-(diethylaminomethyl)-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-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid is CCN(CC)CC1CN(S(=O)(=O)N(C)C)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is NRFRKOMKHUQHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S.C2HF3O2/c1-5-16(6-2)8-13-10-17(21(19,20)15(3)4)9-12-7-14-11-18(12)13;3-2(4,5)1(6)7/h7,11,13H,5-6,8-10H2,1-4H3;(H,6,7).
What are the key properties of 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid?
5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 429.47 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).