N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine

C4H4N4O3 — CID 137221291

IUPACN-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine
SMILESO=[N+]([O-])C(=NO)c1cnc[nH]1
InChIInChI=1S/C4H4N4O3/c9-7-4(8(10)11)3-1-5-2-6-3/h1-2,9H,(H,5,6)
InChIKeyUXXKJZUOJQZYJB-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.18
Rot. Bonds1

About N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine

N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine (PubChem CID 137221291) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine
PubChem CID137221291
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC NameN-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine
SMILESO=[N+]([O-])C(=NO)c1cnc[nH]1
InChIInChI=1S/C4H4N4O3/c9-7-4(8(10)11)3-1-5-2-6-3/h1-2,9H,(H,5,6)
InChIKeyUXXKJZUOJQZYJB-UHFFFAOYSA-N
XLogP-0.18
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine?
The IUPAC name of N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine (CID 137221291) is N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine.
What is the SMILES notation for N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine?
The canonical SMILES for N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine is O=[N+]([O-])C(=NO)c1cnc[nH]1.
What is the InChIKey of N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine?
The InChIKey is UXXKJZUOJQZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c9-7-4(8(10)11)3-1-5-2-6-3/h1-2,9H,(H,5,6).
What are the key properties of N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine?
N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine has a molecular weight of 156.10 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine is sourced from PubChem (CID 137221291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).