1-nitrophenazin-2-amine

C12H8N4O2 — CID 121007009

IUPAC1-nitrophenazin-2-amine
SMILESNc1ccc2nc3ccccc3nc2c1[N+](=O)[O-]
InChIInChI=1S/C12H8N4O2/c13-7-5-6-10-11(12(7)16(17)18)15-9-4-2-1-3-8(9)14-10/h1-6H,13H2
InChIKeyYIHVQRIIIHSECL-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.27
Rot. Bonds1

About 1-nitrophenazin-2-amine

1-nitrophenazin-2-amine (PubChem CID 121007009) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-nitrophenazin-2-amine.

Molecular Properties

Compound Name1-nitrophenazin-2-amine
PubChem CID121007009
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name1-nitrophenazin-2-amine
SMILESNc1ccc2nc3ccccc3nc2c1[N+](=O)[O-]
InChIInChI=1S/C12H8N4O2/c13-7-5-6-10-11(12(7)16(17)18)15-9-4-2-1-3-8(9)14-10/h1-6H,13H2
InChIKeyYIHVQRIIIHSECL-UHFFFAOYSA-N
XLogP2.27
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-nitrophenazin-2-amine?
The IUPAC name of 1-nitrophenazin-2-amine (CID 121007009) is 1-nitrophenazin-2-amine.
What is the SMILES notation for 1-nitrophenazin-2-amine?
The canonical SMILES for 1-nitrophenazin-2-amine is Nc1ccc2nc3ccccc3nc2c1[N+](=O)[O-].
What is the InChIKey of 1-nitrophenazin-2-amine?
The InChIKey is YIHVQRIIIHSECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c13-7-5-6-10-11(12(7)16(17)18)15-9-4-2-1-3-8(9)14-10/h1-6H,13H2.
What are the key properties of 1-nitrophenazin-2-amine?
1-nitrophenazin-2-amine has a molecular weight of 240.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrophenazin-2-amine is sourced from PubChem (CID 121007009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).