potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide

C5H11KN6O6 — CID 134995159

IUPACpotassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide
SMILESCCCN(CN(C[N-][N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[K+]
InChIInChI=1S/C5H11N6O6.K/c1-2-3-7(10(14)15)5-8(11(16)17)4-6-9(12)13;/h2-5H2,1H3;/q-1;+1
InChIKeyKFEIKDGXMABQHS-UHFFFAOYSA-N
MW290.28 g/mol
LogP-3.13
Rot. Bonds9

About potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide

potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide (PubChem CID 134995159) has the molecular formula C5H11KN6O6 and a molecular weight of 290.28 g/mol. Its IUPAC name is potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide.

Molecular Properties

Compound Namepotassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide
PubChem CID134995159
Molecular FormulaC5H11KN6O6
Molecular Weight290.28 g/mol
Exact Mass290.04
IUPAC Namepotassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide
SMILESCCCN(CN(C[N-][N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[K+]
InChIInChI=1S/C5H11N6O6.K/c1-2-3-7(10(14)15)5-8(11(16)17)4-6-9(12)13;/h2-5H2,1H3;/q-1;+1
InChIKeyKFEIKDGXMABQHS-UHFFFAOYSA-N
XLogP-3.13
TPSA150.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide?
The IUPAC name of potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide (CID 134995159) is potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide.
What is the SMILES notation for potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide?
The canonical SMILES for potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide is CCCN(CN(C[N-][N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[K+].
What is the InChIKey of potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide?
The InChIKey is KFEIKDGXMABQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N6O6.K/c1-2-3-7(10(14)15)5-8(11(16)17)4-6-9(12)13;/h2-5H2,1H3;/q-1;+1.
What are the key properties of potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide?
potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide has a molecular weight of 290.28 g/mol, XLogP of -3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium nitro-[[nitro-[[nitro(propyl)amino]methyl]amino]methyl]azanide is sourced from PubChem (CID 134995159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).