(3-imidazol-1-yl-2-nitrophenyl)hydrazine

C9H9N5O2 — CID 80901312

IUPAC(3-imidazol-1-yl-2-nitrophenyl)hydrazine
SMILESNNc1cccc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O2/c10-12-7-2-1-3-8(9(7)14(15)16)13-5-4-11-6-13/h1-6,12H,10H2
InChIKeyIFMRPWZTKBUTFZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.07
Rot. Bonds3

About (3-imidazol-1-yl-2-nitrophenyl)hydrazine

(3-imidazol-1-yl-2-nitrophenyl)hydrazine (PubChem CID 80901312) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is (3-imidazol-1-yl-2-nitrophenyl)hydrazine.

Molecular Properties

Compound Name(3-imidazol-1-yl-2-nitrophenyl)hydrazine
PubChem CID80901312
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name(3-imidazol-1-yl-2-nitrophenyl)hydrazine
SMILESNNc1cccc(-n2ccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O2/c10-12-7-2-1-3-8(9(7)14(15)16)13-5-4-11-6-13/h1-6,12H,10H2
InChIKeyIFMRPWZTKBUTFZ-UHFFFAOYSA-N
XLogP1.07
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (3-imidazol-1-yl-2-nitrophenyl)hydrazine?
The IUPAC name of (3-imidazol-1-yl-2-nitrophenyl)hydrazine (CID 80901312) is (3-imidazol-1-yl-2-nitrophenyl)hydrazine.
What is the SMILES notation for (3-imidazol-1-yl-2-nitrophenyl)hydrazine?
The canonical SMILES for (3-imidazol-1-yl-2-nitrophenyl)hydrazine is NNc1cccc(-n2ccnc2)c1[N+](=O)[O-].
What is the InChIKey of (3-imidazol-1-yl-2-nitrophenyl)hydrazine?
The InChIKey is IFMRPWZTKBUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-12-7-2-1-3-8(9(7)14(15)16)13-5-4-11-6-13/h1-6,12H,10H2.
What are the key properties of (3-imidazol-1-yl-2-nitrophenyl)hydrazine?
(3-imidazol-1-yl-2-nitrophenyl)hydrazine has a molecular weight of 219.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazol-1-yl-2-nitrophenyl)hydrazine is sourced from PubChem (CID 80901312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).