5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole

C7H8F3N3O — CID 118613806

IUPAC5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(C(F)(F)F)nc2c1CN(O)C2
InChIInChI=1S/C7H8F3N3O/c1-12-5-3-13(14)2-4(5)11-6(12)7(8,9)10/h14H,2-3H2,1H3
InChIKeyLRKPYKSHXKWBHE-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.14
Rot. Bonds

About 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole

5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613806) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613806
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(C(F)(F)F)nc2c1CN(O)C2
InChIInChI=1S/C7H8F3N3O/c1-12-5-3-13(14)2-4(5)11-6(12)7(8,9)10/h14H,2-3H2,1H3
InChIKeyLRKPYKSHXKWBHE-UHFFFAOYSA-N
XLogP1.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613806) is 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1c(C(F)(F)F)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is LRKPYKSHXKWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-12-5-3-13(14)2-4(5)11-6(12)7(8,9)10/h14H,2-3H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 207.15 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).