5-(2-nitrosoethyl)-1H-imidazole

C5H7N3O — CID 142684477

IUPAC5-(2-nitrosoethyl)-1H-imidazole
SMILESO=NCCc1cnc[nH]1
InChIInChI=1S/C5H7N3O/c9-8-2-1-5-3-6-4-7-5/h3-4H,1-2H2,(H,6,7)
InChIKeyFISUWKWLPBRLDY-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.72
Rot. Bonds3

About 5-(2-nitrosoethyl)-1H-imidazole

5-(2-nitrosoethyl)-1H-imidazole (PubChem CID 142684477) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-(2-nitrosoethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-nitrosoethyl)-1H-imidazole
PubChem CID142684477
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name5-(2-nitrosoethyl)-1H-imidazole
SMILESO=NCCc1cnc[nH]1
InChIInChI=1S/C5H7N3O/c9-8-2-1-5-3-6-4-7-5/h3-4H,1-2H2,(H,6,7)
InChIKeyFISUWKWLPBRLDY-UHFFFAOYSA-N
XLogP0.72
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-nitrosoethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrosoethyl)-1H-imidazole?
The IUPAC name of 5-(2-nitrosoethyl)-1H-imidazole (CID 142684477) is 5-(2-nitrosoethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-nitrosoethyl)-1H-imidazole?
The canonical SMILES for 5-(2-nitrosoethyl)-1H-imidazole is O=NCCc1cnc[nH]1.
What is the InChIKey of 5-(2-nitrosoethyl)-1H-imidazole?
The InChIKey is FISUWKWLPBRLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c9-8-2-1-5-3-6-4-7-5/h3-4H,1-2H2,(H,6,7).
What are the key properties of 5-(2-nitrosoethyl)-1H-imidazole?
5-(2-nitrosoethyl)-1H-imidazole has a molecular weight of 125.13 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrosoethyl)-1H-imidazole is sourced from PubChem (CID 142684477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).