1H-imidazole;nitric acid

C3H5N3O3 — CID 22376023

IUPAC1H-imidazole;nitric acid
SMILESO=[N+]([O-])O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.HNO3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H,2,3,4)
InChIKeyQSWSKDXFOIOXKW-UHFFFAOYSA-N
MW131.09 g/mol
LogP0.06
Rot. Bonds

About 1H-imidazole;nitric acid

1H-imidazole;nitric acid (PubChem CID 22376023) has the molecular formula C3H5N3O3 and a molecular weight of 131.09 g/mol. Its IUPAC name is 1H-imidazole;nitric acid.

Molecular Properties

Compound Name1H-imidazole;nitric acid
PubChem CID22376023
Molecular FormulaC3H5N3O3
Molecular Weight131.09 g/mol
Exact Mass131.03
IUPAC Name1H-imidazole;nitric acid
SMILESO=[N+]([O-])O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.HNO3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H,2,3,4)
InChIKeyQSWSKDXFOIOXKW-UHFFFAOYSA-N
XLogP0.06
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imidazole
CID 795
2-Nitroimidazole
CID 10701
2-Methylimidazole
CID 12749
2-Aminoimidazole
CID 82140
2,4-Dinitroimidazole
CID 21275
4-Nitroimidazole
CID 18208
Imidazolium chloride
CID 10197644
2-Bromo-1H-imidazole
CID 2773261
4-iodo-1H-imidazole
CID 606522
2-Chloro-4-nitro-1H-imidazole
CID 42409
2-chloro-1H-imidazole
CID 2773328
4-Aminoimidazole
CID 484

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;nitric acid?
The IUPAC name of 1H-imidazole;nitric acid (CID 22376023) is 1H-imidazole;nitric acid.
What is the SMILES notation for 1H-imidazole;nitric acid?
The canonical SMILES for 1H-imidazole;nitric acid is O=[N+]([O-])O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;nitric acid?
The InChIKey is QSWSKDXFOIOXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.HNO3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);(H,2,3,4).
What are the key properties of 1H-imidazole;nitric acid?
1H-imidazole;nitric acid has a molecular weight of 131.09 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;nitric acid is sourced from PubChem (CID 22376023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).