2-nitro-1-phenyliminoguanidine

C7H7N5O2 — CID 5476227

IUPAC2-nitro-1-phenyliminoguanidine
SMILESNC(=N/[N+](=O)[O-])/N=N/c1ccccc1
InChIInChI=1S/C7H7N5O2/c8-7(11-12(13)14)10-9-6-4-2-1-3-5-6/h1-5H,(H2,8,11)/b10-9+
InChIKeyUWHRBBBOQMJJCE-MDZDMXLPSA-N
MW193.17 g/mol
LogP1.28
Rot. Bonds2

About 2-nitro-1-phenyliminoguanidine

2-nitro-1-phenyliminoguanidine (PubChem CID 5476227) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-nitro-1-phenyliminoguanidine.

Molecular Properties

Compound Name2-nitro-1-phenyliminoguanidine
PubChem CID5476227
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-nitro-1-phenyliminoguanidine
SMILESNC(=N/[N+](=O)[O-])/N=N/c1ccccc1
InChIInChI=1S/C7H7N5O2/c8-7(11-12(13)14)10-9-6-4-2-1-3-5-6/h1-5H,(H2,8,11)/b10-9+
InChIKeyUWHRBBBOQMJJCE-MDZDMXLPSA-N
XLogP1.28
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

diphenyldiazene;urea
CID 175083568
(4-nitrophenyl)-phenyldiazene
CID 17222
2-nitro-N'-phenylethanimidamide
CID 91150003
2-nitroguanidine;2-nitrophenol
CID 18323468
1-hydroxy-2-phenylguanidine;nitric acid
CID 173298305
(3-nitrooxy-2-phenyldiazenylphenyl) nitrate
CID 175370565
N-phenyliminobutanamide
CID 123707151
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
carbamic acid;nitrobenzene
CID 66874578
nitrobenzene;urea
CID 22364416
diphenyldiazene;hydrofluoride
CID 174857584

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-phenyliminoguanidine?
The IUPAC name of 2-nitro-1-phenyliminoguanidine (CID 5476227) is 2-nitro-1-phenyliminoguanidine.
What is the SMILES notation for 2-nitro-1-phenyliminoguanidine?
The canonical SMILES for 2-nitro-1-phenyliminoguanidine is NC(=N/[N+](=O)[O-])/N=N/c1ccccc1.
What is the InChIKey of 2-nitro-1-phenyliminoguanidine?
The InChIKey is UWHRBBBOQMJJCE-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-7(11-12(13)14)10-9-6-4-2-1-3-5-6/h1-5H,(H2,8,11)/b10-9+.
What are the key properties of 2-nitro-1-phenyliminoguanidine?
2-nitro-1-phenyliminoguanidine has a molecular weight of 193.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-phenyliminoguanidine is sourced from PubChem (CID 5476227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).