3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C9H10F2N6 — CID 144979396

IUPAC3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1ncnc1-c1nc2c(n1C(F)F)CNC2
InChIInChI=1S/C9H10F2N6/c1-16-7(13-4-14-16)8-15-5-2-12-3-6(5)17(8)9(10)11/h4,9,12H,2-3H2,1H3
InChIKeyUIAMHPVDYUZMTR-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.68
Rot. Bonds2

About 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 144979396) has the molecular formula C9H10F2N6 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID144979396
Molecular FormulaC9H10F2N6
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1ncnc1-c1nc2c(n1C(F)F)CNC2
InChIInChI=1S/C9H10F2N6/c1-16-7(13-4-14-16)8-15-5-2-12-3-6(5)17(8)9(10)11/h4,9,12H,2-3H2,1H3
InChIKeyUIAMHPVDYUZMTR-UHFFFAOYSA-N
XLogP0.68
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
CID 131937077
5-Hydroxy-3-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613863
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-[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 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 144979396) is 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1ncnc1-c1nc2c(n1C(F)F)CNC2.
What is the InChIKey of 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is UIAMHPVDYUZMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N6/c1-16-7(13-4-14-16)8-15-5-2-12-3-6(5)17(8)9(10)11/h4,9,12H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 240.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 144979396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).