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

C7H11N3O2 — CID 118613848

IUPAC5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCOc1nc2c(n1C)CN(O)C2
InChIInChI=1S/C7H11N3O2/c1-9-6-4-10(11)3-5(6)8-7(9)12-2/h11H,3-4H2,1-2H3
InChIKeyNKJXEHPXGLJEHK-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.13
Rot. Bonds1

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

5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613848) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613848
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCOc1nc2c(n1C)CN(O)C2
InChIInChI=1S/C7H11N3O2/c1-9-6-4-10(11)3-5(6)8-7(9)12-2/h11H,3-4H2,1-2H3
InChIKeyNKJXEHPXGLJEHK-UHFFFAOYSA-N
XLogP0.13
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,3-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 82418516
5-Hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613800
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613805
5-Hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613808
Methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
CID 118613833
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile
CID 118613835
3-Ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613836
5-Hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613837
2-Cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613845

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613848) is 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is COc1nc2c(n1C)CN(O)C2.
What is the InChIKey of 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is NKJXEHPXGLJEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-9-6-4-10(11)3-5(6)8-7(9)12-2/h11H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 169.18 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).