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

C17H21F3N8O2 — CID 155836719

IUPAC8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(Cn3cncn3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N8.C2HF3O2/c1-12-15-17-6-14(9-22-11-16-10-19-22)23(15)4-3-21(12)8-13-5-18-20(2)7-13;3-2(4,5)1(6)7/h5-7,10-12H,3-4,8-9H2,1-2H3;(H,6,7)
InChIKeyPMTVDUNENFVNSX-UHFFFAOYSA-N
MW426.40 g/mol
LogP1.47
Rot. Bonds4

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

8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155836719) has the molecular formula C17H21F3N8O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 8-methyl-7-[(1-methylpyrazol-4-yl)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 Name8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155836719
Molecular FormulaC17H21F3N8O2
Molecular Weight426.40 g/mol
Exact Mass426.17
IUPAC Name8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(Cn3cncn3)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N8.C2HF3O2/c1-12-15-17-6-14(9-22-11-16-10-19-22)23(15)4-3-21(12)8-13-5-18-20(2)7-13;3-2(4,5)1(6)7/h5-7,10-12H,3-4,8-9H2,1-2H3;(H,6,7)
InChIKeyPMTVDUNENFVNSX-UHFFFAOYSA-N
XLogP1.47
TPSA106.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(1-methylpyrazol-4-yl)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 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155836719) is 8-methyl-7-[(1-methylpyrazol-4-yl)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 8-methyl-7-[(1-methylpyrazol-4-yl)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 8-methyl-7-[(1-methylpyrazol-4-yl)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)n2CCN1Cc1cnn(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-7-[(1-methylpyrazol-4-yl)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 PMTVDUNENFVNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8.C2HF3O2/c1-12-15-17-6-14(9-22-11-16-10-19-22)23(15)4-3-21(12)8-13-5-18-20(2)7-13;3-2(4,5)1(6)7/h5-7,10-12H,3-4,8-9H2,1-2H3;(H,6,7).
What are the key properties of 8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
8-methyl-7-[(1-methylpyrazol-4-yl)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 426.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(1-methylpyrazol-4-yl)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 155836719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).