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

C14H23F3N4O4S — CID 155846905

IUPACN-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N(C)Cc1cn2c(n1)CN(S(C)(=O)=O)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4O2S.C2HF3O2/c1-10(2)14(3)7-11-8-15-5-6-16(19(4,17)18)9-12(15)13-11;3-2(4,5)1(6)7/h8,10H,5-7,9H2,1-4H3;(H,6,7)
InChIKeyWFTIJEMQNNQTID-UHFFFAOYSA-N
MW400.42 g/mol
LogP1.13
Rot. Bonds4

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

N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 155846905) has the molecular formula C14H23F3N4O4S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID155846905
Molecular FormulaC14H23F3N4O4S
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC NameN-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N(C)Cc1cn2c(n1)CN(S(C)(=O)=O)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4O2S.C2HF3O2/c1-10(2)14(3)7-11-8-15-5-6-16(19(4,17)18)9-12(15)13-11;3-2(4,5)1(6)7/h8,10H,5-7,9H2,1-4H3;(H,6,7)
InChIKeyWFTIJEMQNNQTID-UHFFFAOYSA-N
XLogP1.13
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid (CID 155846905) is N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid is CC(C)N(C)Cc1cn2c(n1)CN(S(C)(=O)=O)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WFTIJEMQNNQTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S.C2HF3O2/c1-10(2)14(3)7-11-8-15-5-6-16(19(4,17)18)9-12(15)13-11;3-2(4,5)1(6)7/h8,10H,5-7,9H2,1-4H3;(H,6,7).
What are the key properties of N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid?
N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 400.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]propan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).