N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide

H3N9O2 — CID 153439769

IUPACN-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide
SMILESN/N=N/N=N/N=N/N[N+](=O)[O-]
InChIInChI=1S/H3N9O2/c1-2-3-4-5-6-7-8-9(10)11/h(H2,1,3,5,7)(H,2,4,6,8)
InChIKeySDXLUCFOCCROFR-UHFFFAOYSA-N
MW161.09 g/mol
LogP-0.26
Rot. Bonds4

About N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide

N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide (PubChem CID 153439769) has the molecular formula H3N9O2 and a molecular weight of 161.09 g/mol. Its IUPAC name is N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide.

Molecular Properties

Compound NameN-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide
PubChem CID153439769
Molecular FormulaH3N9O2
Molecular Weight161.09 g/mol
Exact Mass161.04
IUPAC NameN-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide
SMILESN/N=N/N=N/N=N/N[N+](=O)[O-]
InChIInChI=1S/H3N9O2/c1-2-3-4-5-6-7-8-9(10)11/h(H2,1,3,5,7)(H,2,4,6,8)
InChIKeySDXLUCFOCCROFR-UHFFFAOYSA-N
XLogP-0.26
TPSA155.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.09
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide?
The IUPAC name of N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide (CID 153439769) is N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide.
What is the SMILES notation for N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide?
The canonical SMILES for N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide is N/N=N/N=N/N=N/N[N+](=O)[O-].
What is the InChIKey of N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide?
The InChIKey is SDXLUCFOCCROFR-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N9O2/c1-2-3-4-5-6-7-8-9(10)11/h(H2,1,3,5,7)(H,2,4,6,8).
What are the key properties of N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide?
N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide has a molecular weight of 161.09 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-[(E)-aminodiazenyl]diazenyl]diazenyl]nitramide is sourced from PubChem (CID 153439769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).