1H-imidazole;nitroxyl

C3H5N3O — CID 174498355

IUPAC1H-imidazole;nitroxyl
SMILESN=O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.HNO/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);1H
InChIKeyZWIRNHLZNURBIF-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.74
Rot. Bonds

About 1H-imidazole;nitroxyl

1H-imidazole;nitroxyl (PubChem CID 174498355) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 1H-imidazole;nitroxyl.

Molecular Properties

Compound Name1H-imidazole;nitroxyl
PubChem CID174498355
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name1H-imidazole;nitroxyl
SMILESN=O.c1c[nH]cn1
InChIInChI=1S/C3H4N2.HNO/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);1H
InChIKeyZWIRNHLZNURBIF-UHFFFAOYSA-N
XLogP0.74
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;nitroxyl?
The IUPAC name of 1H-imidazole;nitroxyl (CID 174498355) is 1H-imidazole;nitroxyl.
What is the SMILES notation for 1H-imidazole;nitroxyl?
The canonical SMILES for 1H-imidazole;nitroxyl is N=O.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;nitroxyl?
The InChIKey is ZWIRNHLZNURBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.HNO/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);1H.
What are the key properties of 1H-imidazole;nitroxyl?
1H-imidazole;nitroxyl has a molecular weight of 99.09 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;nitroxyl is sourced from PubChem (CID 174498355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).