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

C11H16N6 — CID 118614212

IUPAC2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2nc(C)nn2C)nc2c1CNC2
InChIInChI=1S/C11H16N6/c1-4-17-9-6-12-5-8(9)14-11(17)10-13-7(2)15-16(10)3/h12H,4-6H2,1-3H3
InChIKeyGLXARBXWHSFFTC-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.61
Rot. Bonds2

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

2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118614212) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118614212
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2nc(C)nn2C)nc2c1CNC2
InChIInChI=1S/C11H16N6/c1-4-17-9-6-12-5-8(9)14-11(17)10-13-7(2)15-16(10)3/h12H,4-6H2,1-3H3
InChIKeyGLXARBXWHSFFTC-UHFFFAOYSA-N
XLogP0.61
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole with MolForge

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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)-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
2-[4-(Difluoromethyl)-1,2,4-triazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614149

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118614212) is 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CCn1c(-c2nc(C)nn2C)nc2c1CNC2.
What is the InChIKey of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is GLXARBXWHSFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-4-17-9-6-12-5-8(9)14-11(17)10-13-7(2)15-16(10)3/h12H,4-6H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 232.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).