3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole

C8H13N3O — CID 118613836

IUPAC3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(C)nc2c1CN(O)C2
InChIInChI=1S/C8H13N3O/c1-3-11-6(2)9-7-4-10(12)5-8(7)11/h12H,3-5H2,1-2H3
InChIKeySRRLWLHEQVKJHG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.92
Rot. Bonds1

About 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole

3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613836) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613836
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(C)nc2c1CN(O)C2
InChIInChI=1S/C8H13N3O/c1-3-11-6(2)9-7-4-10(12)5-8(7)11/h12H,3-5H2,1-2H3
InChIKeySRRLWLHEQVKJHG-UHFFFAOYSA-N
XLogP0.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 57931332
3-Methyl-5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 57931370
3,5-Dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 70875703
5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 118614233
2-[1-(Difluoromethyl)-2,3-dihydrotetrazol-5-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614235
2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614473
N-(aminomethylidene)-3-(difluoromethyl)-5-hydroxy-N'-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979207
N-(difluoromethyl)-N-ethanimidoyl-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979350
N'-[(E)-N-(difluoromethyl)-C-methylcarbonimidoyl]-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979449

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613836) is 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(C)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is SRRLWLHEQVKJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11-6(2)9-7-4-10(12)5-8(7)11/h12H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 167.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).