6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one

C9H9F3N4O — CID 164946372

IUPAC6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCC(N)c1cn2cc(C(F)(F)F)nc2c(=O)[nH]1
InChIInChI=1S/C9H9F3N4O/c1-4(13)5-2-16-3-6(9(10,11)12)15-7(16)8(17)14-5/h2-4H,13H2,1H3,(H,14,17)
InChIKeyRXNIBZRQMVUUKZ-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.06
Rot. Bonds1

About 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one

6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 164946372) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID164946372
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCC(N)c1cn2cc(C(F)(F)F)nc2c(=O)[nH]1
InChIInChI=1S/C9H9F3N4O/c1-4(13)5-2-16-3-6(9(10,11)12)15-7(16)8(17)14-5/h2-4H,13H2,1H3,(H,14,17)
InChIKeyRXNIBZRQMVUUKZ-UHFFFAOYSA-N
XLogP1.06
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
2-{4-[(1-isopropyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-N-methylacetamide
CID 77085402
1-Methylhistamine, N-trifluoroacetyl-
CID 6422110
2,2,2-trifluoro-N-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]acetamide
CID 59383109
2-[4-(Trifluoromethyl)imidazol-1-yl]propanamide
CID 67130813
5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide
CID 68593429
N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]acetamide
CID 70864947
2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8(7H)-one
CID 71139060
1-[2-[1-(2,2-Difluoroethyl)imidazol-4-yl]ethyl]-3-propan-2-ylurea
CID 91172428
N-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]propanamide
CID 91312976
3-(Trifluoromethyl)imidazo[1,2-a]pyrazin-8-ol
CID 122704133
3,3,3-trifluoro-N-[2-[1-methyl-2-(3,3,3-trifluoropropanoyl)imidazol-4-yl]ethyl]propanamide
CID 143872102

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one (CID 164946372) is 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one is CC(N)c1cn2cc(C(F)(F)F)nc2c(=O)[nH]1.
What is the InChIKey of 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is RXNIBZRQMVUUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c1-4(13)5-2-16-3-6(9(10,11)12)15-7(16)8(17)14-5/h2-4H,13H2,1H3,(H,14,17).
What are the key properties of 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one?
6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 246.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2-(trifluoromethyl)-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 164946372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).