5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

C6H6F3N3O — CID 118613804

IUPAC5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESON1Cc2nc(C(F)(F)F)[nH]c2C1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5-10-3-1-12(13)2-4(3)11-5/h13H,1-2H2,(H,10,11)
InChIKeyXPBOTUOBJDMHON-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.13
Rot. Bonds

About 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 118613804) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID118613804
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESON1Cc2nc(C(F)(F)F)[nH]c2C1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5-10-3-1-12(13)2-4(3)11-5/h13H,1-2H2,(H,10,11)
InChIKeyXPBOTUOBJDMHON-UHFFFAOYSA-N
XLogP1.13
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 118613804) is 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is ON1Cc2nc(C(F)(F)F)[nH]c2C1.
What is the InChIKey of 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is XPBOTUOBJDMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)5-10-3-1-12(13)2-4(3)11-5/h13H,1-2H2,(H,10,11).
What are the key properties of 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 193.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).