3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C6H9N3 — CID 82418913

IUPAC3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1cnc2c1CNC2
InChIInChI=1S/C6H9N3/c1-9-4-8-5-2-7-3-6(5)9/h4,7H,2-3H2,1H3
InChIKeyRBUWUIIKUUSVJE-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.02
Rot. Bonds

About 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 82418913) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID82418913
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1cnc2c1CNC2
InChIInChI=1S/C6H9N3/c1-9-4-8-5-2-7-3-6(5)9/h4,7H,2-3H2,1H3
InChIKeyRBUWUIIKUUSVJE-UHFFFAOYSA-N
XLogP0.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 91759504
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284
1,4,5,6-Tetrahydropyrrolo[3,4-d]imidazole
CID 45120616
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
2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614473
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
2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 145281967
[3-Methyl-5-(trifluoromethyl)imidazol-4-yl]methanamine
CID 84656747
1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-N-methylmethanamine
CID 96635890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 82418913) is 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1cnc2c1CNC2.
What is the InChIKey of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is RBUWUIIKUUSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9-4-8-5-2-7-3-6(5)9/h4,7H,2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 123.16 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 82418913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).