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

C15H14F4N8O2 — CID 155851036

IUPAC7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESFc1cnc(N2CCn3c(Cn4cncn4)cnc3C2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13FN8.C2HF3O2/c14-10-3-17-13(18-4-10)20-1-2-22-11(5-16-12(22)7-20)6-21-9-15-8-19-21;3-2(4,5)1(6)7/h3-5,8-9H,1-2,6-7H2;(H,6,7)
InChIKeyLZEOWJBRDCRMBA-UHFFFAOYSA-N
MW414.32 g/mol
LogP1.11
Rot. Bonds3

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

7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155851036) has the molecular formula C15H14F4N8O2 and a molecular weight of 414.32 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-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 Name7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155851036
Molecular FormulaC15H14F4N8O2
Molecular Weight414.32 g/mol
Exact Mass414.12
IUPAC Name7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESFc1cnc(N2CCn3c(Cn4cncn4)cnc3C2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13FN8.C2HF3O2/c14-10-3-17-13(18-4-10)20-1-2-22-11(5-16-12(22)7-20)6-21-9-15-8-19-21;3-2(4,5)1(6)7/h3-5,8-9H,1-2,6-7H2;(H,6,7)
InChIKeyLZEOWJBRDCRMBA-UHFFFAOYSA-N
XLogP1.11
TPSA114.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(5-fluoropyrimidin-2-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 7-(5-fluoropyrimidin-2-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 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155851036) is 7-(5-fluoropyrimidin-2-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 7-(5-fluoropyrimidin-2-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 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is Fc1cnc(N2CCn3c(Cn4cncn4)cnc3C2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(5-fluoropyrimidin-2-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 LZEOWJBRDCRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN8.C2HF3O2/c14-10-3-17-13(18-4-10)20-1-2-22-11(5-16-12(22)7-20)6-21-9-15-8-19-21;3-2(4,5)1(6)7/h3-5,8-9H,1-2,6-7H2;(H,6,7).
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
7-(5-fluoropyrimidin-2-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 414.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-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 155851036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).