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

C16H21F3N6O2 — CID 155848568

IUPAC7-(cyclopropylmethyl)-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)n2CCN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6.C2HF3O2/c1-11-14-16-6-13(8-19-10-15-9-17-19)20(14)5-4-18(11)7-12-2-3-12;3-2(4,5)1(6)7/h6,9-12H,2-5,7-8H2,1H3;(H,6,7)
InChIKeyOMECRQBDMVEDOQ-UHFFFAOYSA-N
MW386.38 g/mol
LogP1.94
Rot. Bonds4

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

7-(cyclopropylmethyl)-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 155848568) has the molecular formula C16H21F3N6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155848568
Molecular FormulaC16H21F3N6O2
Molecular Weight386.38 g/mol
Exact Mass386.17
IUPAC Name7-(cyclopropylmethyl)-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)n2CCN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6.C2HF3O2/c1-11-14-16-6-13(8-19-10-15-9-17-19)20(14)5-4-18(11)7-12-2-3-12;3-2(4,5)1(6)7/h6,9-12H,2-5,7-8H2,1H3;(H,6,7)
InChIKeyOMECRQBDMVEDOQ-UHFFFAOYSA-N
XLogP1.94
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743083
7-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743090
8-methyl-7-(oxan-4-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743362
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
7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118745836
7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747147
(2R)-1,1,1-trifluoro-2-[(8S)-8-methyl-5-(1-methylcyclopropyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
CID 167319597
(2R)-2-[(8S)-5-cyclopropyl-8-methyl-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]-1,1,1-trifluoropropan-2-ol
CID 167319602
(2R)-1,1,1-trifluoro-2-[(8S)-5-(1-fluorocyclopropyl)-8-methyl-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
CID 167319609
1,1,1-trifluoro-2-[(8S)-5-(1-fluorocyclopropyl)-8-methyl-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
CID 169582500
2-[(8S)-5-cyclopropyl-8-methyl-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]-1,1,1-trifluoropropan-2-ol
CID 169582666
1,1,1-trifluoro-2-[(8S)-8-methyl-5-(1-methylcyclopropyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-10-yl]propan-2-ol
CID 169582731

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155848568) is 7-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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)n2CCN1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(cyclopropylmethyl)-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 OMECRQBDMVEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.C2HF3O2/c1-11-14-16-6-13(8-19-10-15-9-17-19)20(14)5-4-18(11)7-12-2-3-12;3-2(4,5)1(6)7/h6,9-12H,2-5,7-8H2,1H3;(H,6,7).
What are the key properties of 7-(cyclopropylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
7-(cyclopropylmethyl)-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 386.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-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 155848568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).