8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C17H23F3N6O3 — CID 118744079

IUPAC8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6O.C2HF3O2/c1-12-15-17-8-14(9-19-11-16-10-18-19)21(15)5-4-20(12)13-2-6-22-7-3-13;3-2(4,5)1(6)7/h8,10-13H,2-7,9H2,1H3;(H,6,7)
InChIKeyQNMUXMLJXLEKQN-UHFFFAOYSA-N
MW416.40 g/mol
LogP1.71
Rot. Bonds3

About 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 118744079) has the molecular formula C17H23F3N6O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID118744079
Molecular FormulaC17H23F3N6O3
Molecular Weight416.40 g/mol
Exact Mass416.18
IUPAC Name8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6O.C2HF3O2/c1-12-15-17-8-14(9-19-11-16-10-18-19)21(15)5-4-20(12)13-2-6-22-7-3-13;3-2(4,5)1(6)7/h8,10-13H,2-7,9H2,1H3;(H,6,7)
InChIKeyQNMUXMLJXLEKQN-UHFFFAOYSA-N
XLogP1.71
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 118744079) is 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is CC1c2ncc(Cn3cncn3)n2CCN1C1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is QNMUXMLJXLEKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.C2HF3O2/c1-12-15-17-8-14(9-19-11-16-10-18-19)21(15)5-4-20(12)13-2-6-22-7-3-13;3-2(4,5)1(6)7/h8,10-13H,2-7,9H2,1H3;(H,6,7).
What are the key properties of 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 416.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).