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

C17H19F3N6O3 — CID 155829245

IUPAC7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(Cn3cncn3)n2CCN1Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N6O.C2HF3O2/c1-12-15-17-7-13(8-20-11-16-10-18-20)21(15)5-4-19(12)9-14-3-2-6-22-14;3-2(4,5)1(6)7/h2-3,6-7,10-12H,4-5,8-9H2,1H3;(H,6,7)
InChIKeyASHHYOQTOCBHIQ-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.33
Rot. Bonds4

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

7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155829245) has the molecular formula C17H19F3N6O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-8-methyl-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-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155829245
Molecular FormulaC17H19F3N6O3
Molecular Weight412.37 g/mol
Exact Mass412.15
IUPAC Name7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(Cn3cncn3)n2CCN1Cc1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N6O.C2HF3O2/c1-12-15-17-7-13(8-20-11-16-10-18-20)21(15)5-4-19(12)9-14-3-2-6-22-14;3-2(4,5)1(6)7/h2-3,6-7,10-12H,4-5,8-9H2,1H3;(H,6,7)
InChIKeyASHHYOQTOCBHIQ-UHFFFAOYSA-N
XLogP2.33
TPSA102.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(furan-2-ylmethyl)-8-methyl-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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Related Compounds

(8S)-7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384615
3,5-dimethyl-4-[[(8R)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392197
2-[[(8S)-7-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97422036
7-(furan-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471186
2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118744278
2-[[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845569
7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746706
7-(5-ethylpyrimidin-2-yl)-3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155834232
7-(furan-2-ylmethyl)-3-(pyrimidin-5-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745226
(2-methylfuran-3-yl)-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849378
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861510
7-(furan-2-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131651513

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-8-methyl-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-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155829245) is 7-(furan-2-ylmethyl)-8-methyl-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-(furan-2-ylmethyl)-8-methyl-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-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is CC1c2ncc(Cn3cncn3)n2CCN1Cc1ccco1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is ASHHYOQTOCBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O.C2HF3O2/c1-12-15-17-7-13(8-20-11-16-10-18-20)21(15)5-4-19(12)9-14-3-2-6-22-14;3-2(4,5)1(6)7/h2-3,6-7,10-12H,4-5,8-9H2,1H3;(H,6,7).
What are the key properties of 7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
7-(furan-2-ylmethyl)-8-methyl-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 412.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-8-methyl-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 155829245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).