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

C7H11N3O — CID 118613800

IUPAC5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCc1nc2c(n1C)CN(O)C2
InChIInChI=1S/C7H11N3O/c1-5-8-6-3-10(11)4-7(6)9(5)2/h11H,3-4H2,1-2H3
InChIKeyZVNMPNNHFOVMNV-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.43
Rot. Bonds

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

5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613800) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613800
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCc1nc2c(n1C)CN(O)C2
InChIInChI=1S/C7H11N3O/c1-5-8-6-3-10(11)4-7(6)9(5)2/h11H,3-4H2,1-2H3
InChIKeyZVNMPNNHFOVMNV-UHFFFAOYSA-N
XLogP0.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.43
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
(Z)-1,1,1-trifluoro-4-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-4-iminobut-2-en-2-amine
CID 144979450
1-methyl-2-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 168030123

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613800) is 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole is Cc1nc2c(n1C)CN(O)C2.
What is the InChIKey of 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is ZVNMPNNHFOVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-8-6-3-10(11)4-7(6)9(5)2/h11H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 153.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).