1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C12H18F3N3O2 — CID 154802880

IUPAC1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCc1cn2c(n1)CN(CC(O)COCC(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3O2/c1-9-4-18-3-2-17(6-11(18)16-9)5-10(19)7-20-8-12(13,14)15/h4,10,19H,2-3,5-8H2,1H3
InChIKeyYJWGKYMAWDTDTK-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.95
Rot. Bonds5

About 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 154802880) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID154802880
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCc1cn2c(n1)CN(CC(O)COCC(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3O2/c1-9-4-18-3-2-17(6-11(18)16-9)5-10(19)7-20-8-12(13,14)15/h4,10,19H,2-3,5-8H2,1H3
InChIKeyYJWGKYMAWDTDTK-UHFFFAOYSA-N
XLogP0.95
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992023
1-methoxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64578822
(2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
CID 95311600
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216659
1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 126807739
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216913
(2S)-1-[4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 118166329
(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 95327138
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 94028188
(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 95309346
1-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 154800026
1-(4-fluoro-3-methylphenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167965168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 154802880) is 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is Cc1cn2c(n1)CN(CC(O)COCC(F)(F)F)CC2.
What is the InChIKey of 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is YJWGKYMAWDTDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-9-4-18-3-2-17(6-11(18)16-9)5-10(19)7-20-8-12(13,14)15/h4,10,19H,2-3,5-8H2,1H3.
What are the key properties of 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 154802880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).