1-diazo-2-nitroguanidine

C2H4N12O4 — CID 139058189

IUPAC1-diazo-2-nitroguanidine
SMILES[N-]=[N+]=N/C(N)=N/[N+](=O)[O-].[N-]=[N+]=N/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/2CH2N6O2/c2*2-1(4-6-3)5-7(8)9/h2*(H2,2,5)
InChIKeyUIHJTVWJJBLJNE-UHFFFAOYSA-N
MW260.13 g/mol
LogP-0.39
Rot. Bonds2

About 1-diazo-2-nitroguanidine

1-diazo-2-nitroguanidine (PubChem CID 139058189) has the molecular formula C2H4N12O4 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-diazo-2-nitroguanidine.

Molecular Properties

Compound Name1-diazo-2-nitroguanidine
PubChem CID139058189
Molecular FormulaC2H4N12O4
Molecular Weight260.13 g/mol
Exact Mass260.05
IUPAC Name1-diazo-2-nitroguanidine
SMILES[N-]=[N+]=N/C(N)=N/[N+](=O)[O-].[N-]=[N+]=N/C(N)=N/[N+](=O)[O-]
InChIInChI=1S/2CH2N6O2/c2*2-1(4-6-3)5-7(8)9/h2*(H2,2,5)
InChIKeyUIHJTVWJJBLJNE-UHFFFAOYSA-N
XLogP-0.39
TPSA260.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diazo-2-nitroguanidine?
The IUPAC name of 1-diazo-2-nitroguanidine (CID 139058189) is 1-diazo-2-nitroguanidine.
What is the SMILES notation for 1-diazo-2-nitroguanidine?
The canonical SMILES for 1-diazo-2-nitroguanidine is [N-]=[N+]=N/C(N)=N/[N+](=O)[O-].[N-]=[N+]=N/C(N)=N/[N+](=O)[O-].
What is the InChIKey of 1-diazo-2-nitroguanidine?
The InChIKey is UIHJTVWJJBLJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2N6O2/c2*2-1(4-6-3)5-7(8)9/h2*(H2,2,5).
What are the key properties of 1-diazo-2-nitroguanidine?
1-diazo-2-nitroguanidine has a molecular weight of 260.13 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazo-2-nitroguanidine is sourced from PubChem (CID 139058189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).