3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

C8H10F2N6O — CID 118614270

IUPAC3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1[nH]nc1-c1nc2c(n1C(F)F)CN(O)C2
InChIInChI=1S/C8H10F2N6O/c1-14-7(12-13-14)6-11-4-2-15(17)3-5(4)16(6)8(9)10/h8,13,17H,2-3H2,1H3
InChIKeyTXNSHSMZAZTPMA-UHFFFAOYSA-N
MW244.20 g/mol
LogP0.71
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614270) has the molecular formula C8H10F2N6O and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614270
Molecular FormulaC8H10F2N6O
Molecular Weight244.20 g/mol
Exact Mass244.09
IUPAC Name3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1[nH]nc1-c1nc2c(n1C(F)F)CN(O)C2
InChIInChI=1S/C8H10F2N6O/c1-14-7(12-13-14)6-11-4-2-15(17)3-5(4)16(6)8(9)10/h8,13,17H,2-3H2,1H3
InChIKeyTXNSHSMZAZTPMA-UHFFFAOYSA-N
XLogP0.71
TPSA74.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
tert-butyl 2-[1-(difluoromethyl)-2H-triazet-4-yl]-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614075
2-[1-(difluoromethyl)-2H-triazet-4-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614077
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
5-Hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614104
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614270) is 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1[nH]nc1-c1nc2c(n1C(F)F)CN(O)C2.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is TXNSHSMZAZTPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6O/c1-14-7(12-13-14)6-11-4-2-15(17)3-5(4)16(6)8(9)10/h8,13,17H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 244.20 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-2-(1-methyl-2H-triazet-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).