2-nitro-1H-imidazol-5-ol

C3H3N3O3 — CID 19855287

IUPAC2-nitro-1H-imidazol-5-ol
SMILESO=[N+]([O-])c1ncc(O)[nH]1
InChIInChI=1S/C3H3N3O3/c7-2-1-4-3(5-2)6(8)9/h1,7H,(H,4,5)
InChIKeyWBWJLVBEKGACTD-UHFFFAOYSA-N
MW129.08 g/mol
LogP0.02
Rot. Bonds1

About 2-nitro-1H-imidazol-5-ol

2-nitro-1H-imidazol-5-ol (PubChem CID 19855287) has the molecular formula C3H3N3O3 and a molecular weight of 129.08 g/mol. Its IUPAC name is 2-nitro-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-nitro-1H-imidazol-5-ol
PubChem CID19855287
Molecular FormulaC3H3N3O3
Molecular Weight129.08 g/mol
Exact Mass129.02
IUPAC Name2-nitro-1H-imidazol-5-ol
SMILESO=[N+]([O-])c1ncc(O)[nH]1
InChIInChI=1S/C3H3N3O3/c7-2-1-4-3(5-2)6(8)9/h1,7H,(H,4,5)
InChIKeyWBWJLVBEKGACTD-UHFFFAOYSA-N
XLogP0.02
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-1H-imidazol-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

1H-imidazol-4-ol
CID 18377217
Hydroxy methylimidazole
CID 21622656
2-Imino-5-oxydihydroimidazol
CID 14094186
2-(5-hydroxy-1H-imidazol-2-yl)guanidine
CID 123683628
4-Hydroxyimidazolium chloride
CID 157270254
2-(trifluoromethyl)-1H-imidazol-5-ol
CID 17835484
2-(fluoromethyl)-1H-imidazol-5-ol
CID 84762079
O-(1H-imidazol-5-yloxy)hydroxylamine
CID 54272606
(5-hydroxy-1H-imidazol-2-yl)urea
CID 54418405
2-Amino-1-hydroxyimidazol-4-ol
CID 55281434
2-Amino-3-hydroxyimidazol-4-ol
CID 55284220
3-sulfanyl-1H-imidazol-3-ium-4-ol
CID 57158694

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1H-imidazol-5-ol?
The IUPAC name of 2-nitro-1H-imidazol-5-ol (CID 19855287) is 2-nitro-1H-imidazol-5-ol.
What is the SMILES notation for 2-nitro-1H-imidazol-5-ol?
The canonical SMILES for 2-nitro-1H-imidazol-5-ol is O=[N+]([O-])c1ncc(O)[nH]1.
What is the InChIKey of 2-nitro-1H-imidazol-5-ol?
The InChIKey is WBWJLVBEKGACTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3/c7-2-1-4-3(5-2)6(8)9/h1,7H,(H,4,5).
What are the key properties of 2-nitro-1H-imidazol-5-ol?
2-nitro-1H-imidazol-5-ol has a molecular weight of 129.08 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1H-imidazol-5-ol is sourced from PubChem (CID 19855287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).