3,5-dinitroso-1,3,5-triazinan-1-amine

C3H8N6O2 — CID 134331492

IUPAC3,5-dinitroso-1,3,5-triazinan-1-amine
SMILESNN1CN(N=O)CN(N=O)C1
InChIInChI=1S/C3H8N6O2/c4-7-1-8(5-10)3-9(2-7)6-11/h1-4H2
InChIKeyYGEWKSRHSIQJIN-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.99
Rot. Bonds2

About 3,5-dinitroso-1,3,5-triazinan-1-amine

3,5-dinitroso-1,3,5-triazinan-1-amine (PubChem CID 134331492) has the molecular formula C3H8N6O2 and a molecular weight of 160.14 g/mol. Its IUPAC name is 3,5-dinitroso-1,3,5-triazinan-1-amine.

Molecular Properties

Compound Name3,5-dinitroso-1,3,5-triazinan-1-amine
PubChem CID134331492
Molecular FormulaC3H8N6O2
Molecular Weight160.14 g/mol
Exact Mass160.07
IUPAC Name3,5-dinitroso-1,3,5-triazinan-1-amine
SMILESNN1CN(N=O)CN(N=O)C1
InChIInChI=1S/C3H8N6O2/c4-7-1-8(5-10)3-9(2-7)6-11/h1-4H2
InChIKeyYGEWKSRHSIQJIN-UHFFFAOYSA-N
XLogP-0.99
TPSA94.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-dinitroso-1,3,5-triazinan-1-amine?
The IUPAC name of 3,5-dinitroso-1,3,5-triazinan-1-amine (CID 134331492) is 3,5-dinitroso-1,3,5-triazinan-1-amine.
What is the SMILES notation for 3,5-dinitroso-1,3,5-triazinan-1-amine?
The canonical SMILES for 3,5-dinitroso-1,3,5-triazinan-1-amine is NN1CN(N=O)CN(N=O)C1.
What is the InChIKey of 3,5-dinitroso-1,3,5-triazinan-1-amine?
The InChIKey is YGEWKSRHSIQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N6O2/c4-7-1-8(5-10)3-9(2-7)6-11/h1-4H2.
What are the key properties of 3,5-dinitroso-1,3,5-triazinan-1-amine?
3,5-dinitroso-1,3,5-triazinan-1-amine has a molecular weight of 160.14 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitroso-1,3,5-triazinan-1-amine is sourced from PubChem (CID 134331492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).