3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine

C4H10N8O3 — CID 134331489

IUPAC3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine
SMILESNN1CN(N=O)CN(N=O)CN(N=O)C1
InChIInChI=1S/C4H10N8O3/c5-9-1-10(6-13)3-12(8-15)4-11(2-9)7-14/h1-5H2
InChIKeyQJJDDFLHNREPKQ-UHFFFAOYSA-N
MW218.18 g/mol
LogP-1.04
Rot. Bonds3

About 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine

3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine (PubChem CID 134331489) has the molecular formula C4H10N8O3 and a molecular weight of 218.18 g/mol. Its IUPAC name is 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine.

Molecular Properties

Compound Name3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine
PubChem CID134331489
Molecular FormulaC4H10N8O3
Molecular Weight218.18 g/mol
Exact Mass218.09
IUPAC Name3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine
SMILESNN1CN(N=O)CN(N=O)CN(N=O)C1
InChIInChI=1S/C4H10N8O3/c5-9-1-10(6-13)3-12(8-15)4-11(2-9)7-14/h1-5H2
InChIKeyQJJDDFLHNREPKQ-UHFFFAOYSA-N
XLogP-1.04
TPSA127.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine?
The IUPAC name of 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine (CID 134331489) is 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine.
What is the SMILES notation for 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine?
The canonical SMILES for 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine is NN1CN(N=O)CN(N=O)CN(N=O)C1.
What is the InChIKey of 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine?
The InChIKey is QJJDDFLHNREPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N8O3/c5-9-1-10(6-13)3-12(8-15)4-11(2-9)7-14/h1-5H2.
What are the key properties of 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine?
3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine has a molecular weight of 218.18 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine is sourced from PubChem (CID 134331489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).