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

C7H11N3 — CID 89117713

IUPAC5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCCN1Cc2nc[nH]c2C1
InChIInChI=1S/C7H11N3/c1-2-10-3-6-7(4-10)9-5-8-6/h5H,2-4H2,1H3,(H,8,9)
InChIKeyMEHWXAAKKKSVPG-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.75
Rot. Bonds1

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

5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (PubChem CID 89117713) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
PubChem CID89117713
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
SMILESCCN1Cc2nc[nH]c2C1
InChIInChI=1S/C7H11N3/c1-2-10-3-6-7(4-10)9-5-8-6/h5H,2-4H2,1H3,(H,8,9)
InChIKeyMEHWXAAKKKSVPG-UHFFFAOYSA-N
XLogP0.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.75
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-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole (CID 89117713) is 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is CCN1Cc2nc[nH]c2C1.
What is the InChIKey of 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
The InChIKey is MEHWXAAKKKSVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-10-3-6-7(4-10)9-5-8-6/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole?
5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole has a molecular weight of 137.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 89117713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).