N-(5-nitro-1H-imidazol-4-yl)nitrous amide

C3H3N5O3 — CID 137235289

IUPACN-(5-nitro-1H-imidazol-4-yl)nitrous amide
SMILESO=NNc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C3H3N5O3/c9-7-6-2-3(8(10)11)5-1-4-2/h1H,(H,4,5)(H,6,9)
InChIKeyGBQCDWGCDLJOGP-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.41
Rot. Bonds3

About N-(5-nitro-1H-imidazol-4-yl)nitrous amide

N-(5-nitro-1H-imidazol-4-yl)nitrous amide (PubChem CID 137235289) has the molecular formula C3H3N5O3 and a molecular weight of 157.09 g/mol. Its IUPAC name is N-(5-nitro-1H-imidazol-4-yl)nitrous amide.

Molecular Properties

Compound NameN-(5-nitro-1H-imidazol-4-yl)nitrous amide
PubChem CID137235289
Molecular FormulaC3H3N5O3
Molecular Weight157.09 g/mol
Exact Mass157.02
IUPAC NameN-(5-nitro-1H-imidazol-4-yl)nitrous amide
SMILESO=NNc1nc[nH]c1[N+](=O)[O-]
InChIInChI=1S/C3H3N5O3/c9-7-6-2-3(8(10)11)5-1-4-2/h1H,(H,4,5)(H,6,9)
InChIKeyGBQCDWGCDLJOGP-UHFFFAOYSA-N
XLogP0.41
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-(5-nitro-1H-imidazol-4-yl)nitrous amide?
The IUPAC name of N-(5-nitro-1H-imidazol-4-yl)nitrous amide (CID 137235289) is N-(5-nitro-1H-imidazol-4-yl)nitrous amide.
What is the SMILES notation for N-(5-nitro-1H-imidazol-4-yl)nitrous amide?
The canonical SMILES for N-(5-nitro-1H-imidazol-4-yl)nitrous amide is O=NNc1nc[nH]c1[N+](=O)[O-].
What is the InChIKey of N-(5-nitro-1H-imidazol-4-yl)nitrous amide?
The InChIKey is GBQCDWGCDLJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O3/c9-7-6-2-3(8(10)11)5-1-4-2/h1H,(H,4,5)(H,6,9).
What are the key properties of N-(5-nitro-1H-imidazol-4-yl)nitrous amide?
N-(5-nitro-1H-imidazol-4-yl)nitrous amide has a molecular weight of 157.09 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1H-imidazol-4-yl)nitrous amide is sourced from PubChem (CID 137235289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).