7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium

C8H10F3N3 — CID 58778094

IUPAC7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium
SMILES[CH2-][NH+]1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C8H10F3N3/c1-13-2-3-14-4-6(8(9,10)11)12-7(14)5-13/h4,13H,1-3,5H2
InChIKeyXQCMFQDSGJVJJO-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.09
Rot. Bonds

About 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium

7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium (PubChem CID 58778094) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium.

Molecular Properties

Compound Name7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium
PubChem CID58778094
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium
SMILES[CH2-][NH+]1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C8H10F3N3/c1-13-2-3-14-4-6(8(9,10)11)12-7(14)5-13/h4,13H,1-3,5H2
InChIKeyXQCMFQDSGJVJJO-UHFFFAOYSA-N
XLogP0.09
TPSA22.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium?
The IUPAC name of 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium (CID 58778094) is 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium.
What is the SMILES notation for 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium?
The canonical SMILES for 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium is [CH2-][NH+]1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium?
The InChIKey is XQCMFQDSGJVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-13-2-3-14-4-6(8(9,10)11)12-7(14)5-13/h4,13H,1-3,5H2.
What are the key properties of 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium?
7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium has a molecular weight of 205.18 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methanidyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-ium is sourced from PubChem (CID 58778094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).