5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

C6H9N3 — CID 54262321

IUPAC5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCN1Cc2nc[nH]c2C1
InChIInChI=1S/C6H9N3/c1-9-2-5-6(3-9)8-4-7-5/h4H,2-3H2,1H3,(H,7,8)
InChIKeyREJDIUBVSXEEOD-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.36
Rot. Bonds

About 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole

5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 54262321) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID54262321
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCN1Cc2nc[nH]c2C1
InChIInChI=1S/C6H9N3/c1-9-2-5-6(3-9)8-4-7-5/h4H,2-3H2,1H3,(H,7,8)
InChIKeyREJDIUBVSXEEOD-UHFFFAOYSA-N
XLogP0.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-9H-purin-6-ylamine
CID 13908780
(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968
tert-butyl 1H,4H,5H,6H-pyrrolo(3,4-d)imidazole-5-carboxylate
CID 25324786
1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 91759504
1-(5-methyl-1H-imidazol-4-yl)methanamine hydrochloride
CID 56773750
3-methyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]thiourea hydrochloride
CID 139026625
2-Amino-1-methylpurine
CID 466062
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-[(4-methyl-1H-imidazol-5-yl)methyl]azocane
CID 6456284
N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclohexanamine
CID 42776872
1-Ethyl-6,7-dihydropurin-6-amine
CID 57484886
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 54262321) is 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is CN1Cc2nc[nH]c2C1.
What is the InChIKey of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is REJDIUBVSXEEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9-2-5-6(3-9)8-4-7-5/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 123.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 54262321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).