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

C6H9N3O — CID 118613805

IUPAC5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1cnc2c1CN(O)C2
InChIInChI=1S/C6H9N3O/c1-8-4-7-5-2-9(10)3-6(5)8/h4,10H,2-3H2,1H3
InChIKeyFAGYMMINPOOXHM-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.12
Rot. Bonds

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

5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613805) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613805
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1cnc2c1CN(O)C2
InChIInChI=1S/C6H9N3O/c1-8-4-7-5-2-9(10)3-6(5)8/h4,10H,2-3H2,1H3
InChIKeyFAGYMMINPOOXHM-UHFFFAOYSA-N
XLogP0.12
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(aminomethylidene)-3-(difluoromethyl)-5-hydroxy-N'-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979207
4,5-Dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole
CID 19965038
1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 23332852
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 54262321
2,3-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 82418516
1-methyl-1H,4H,5H,6H-pyrrolo[3,4-d]imidazole
CID 82418913
5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 89117713

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613805) is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1cnc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is FAGYMMINPOOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-8-4-7-5-2-9(10)3-6(5)8/h4,10H,2-3H2,1H3.
What are the key properties of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 139.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).