N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid

C15H21F3N4O4 — CID 155826200

IUPACN,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cnc2n1CCN(C1CCOC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N4O2.C2HF3O2/c1-15(2)13(18)11-7-14-12-8-16(4-5-17(11)12)10-3-6-19-9-10;3-2(4,5)1(6)7/h7,10H,3-6,8-9H2,1-2H3;(H,6,7)
InChIKeyYSGRPNDBVWEXNA-UHFFFAOYSA-N
MW378.35 g/mol
LogP0.82
Rot. Bonds2

About N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155826200) has the molecular formula C15H21F3N4O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155826200
Molecular FormulaC15H21F3N4O4
Molecular Weight378.35 g/mol
Exact Mass378.15
IUPAC NameN,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)c1cnc2n1CCN(C1CCOC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N4O2.C2HF3O2/c1-15(2)13(18)11-7-14-12-8-16(4-5-17(11)12)10-3-6-19-9-10;3-2(4,5)1(6)7/h7,10H,3-6,8-9H2,1-2H3;(H,6,7)
InChIKeyYSGRPNDBVWEXNA-UHFFFAOYSA-N
XLogP0.82
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155826200) is N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1cnc2n1CCN(C1CCOC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YSGRPNDBVWEXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.C2HF3O2/c1-15(2)13(18)11-7-14-12-8-16(4-5-17(11)12)10-3-6-19-9-10;3-2(4,5)1(6)7/h7,10H,3-6,8-9H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 378.35 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).