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

C8H8F3N7O — CID 118614104

IUPAC5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(-n2nnc(C(F)(F)F)n2)nc2c1CN(O)C2
InChIInChI=1S/C8H8F3N7O/c1-16-5-3-17(19)2-4(5)12-7(16)18-14-6(13-15-18)8(9,10)11/h19H,2-3H2,1H3
InChIKeyBFQYFZMYCAPHAU-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.12
Rot. Bonds1

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

5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614104) has the molecular formula C8H8F3N7O and a molecular weight of 275.19 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614104
Molecular FormulaC8H8F3N7O
Molecular Weight275.19 g/mol
Exact Mass275.07
IUPAC Name5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(-n2nnc(C(F)(F)F)n2)nc2c1CN(O)C2
InChIInChI=1S/C8H8F3N7O/c1-16-5-3-17(19)2-4(5)12-7(16)18-14-6(13-15-18)8(9,10)11/h19H,2-3H2,1H3
InChIKeyBFQYFZMYCAPHAU-UHFFFAOYSA-N
XLogP0.12
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-3-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613863
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
3-(Difluoromethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614083
3-(Difluoromethyl)-2-[1-(difluoromethyl)tetrazol-5-yl]-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614084
3-(Difluoromethyl)-5-hydroxy-2-(2-methyltetrazol-5-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614091
2-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614094
3-Ethyl-5-hydroxy-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614106
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
2-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614134
2-[2-(Difluoromethyl)-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614141
2-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614143

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614104) is 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1c(-n2nnc(C(F)(F)F)n2)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is BFQYFZMYCAPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7O/c1-16-5-3-17(19)2-4(5)12-7(16)18-14-6(13-15-18)8(9,10)11/h19H,2-3H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 275.19 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).