cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C14H16F3N3O — CID 110225733

IUPACcyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)11-8-19-6-7-20(9-12(19)18-11)13(21)10-4-2-1-3-5-10/h1-2,8,10H,3-7,9H2
InChIKeyULFAEZCAWPYHAU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.60
Rot. Bonds1

About cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 110225733) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID110225733
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Namecyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)11-8-19-6-7-20(9-12(19)18-11)13(21)10-4-2-1-3-5-10/h1-2,8,10H,3-7,9H2
InChIKeyULFAEZCAWPYHAU-UHFFFAOYSA-N
XLogP2.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 110225733) is cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is O=C(C1CC=CCC1)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is ULFAEZCAWPYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)11-8-19-6-7-20(9-12(19)18-11)13(21)10-4-2-1-3-5-10/h1-2,8,10H,3-7,9H2.
What are the key properties of cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 299.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 110225733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).