5-nitroso-1,3,5-triazinane-1,3-diamine

C3H10N6O — CID 89064293

IUPAC5-nitroso-1,3,5-triazinane-1,3-diamine
SMILESNN1CN(N)CN(N=O)C1
InChIInChI=1S/C3H10N6O/c4-7-1-8(5)3-9(2-7)6-10/h1-5H2
InChIKeyDJGASVDFSQEGDD-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.79
Rot. Bonds1

About 5-nitroso-1,3,5-triazinane-1,3-diamine

5-nitroso-1,3,5-triazinane-1,3-diamine (PubChem CID 89064293) has the molecular formula C3H10N6O and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-nitroso-1,3,5-triazinane-1,3-diamine.

Molecular Properties

Compound Name5-nitroso-1,3,5-triazinane-1,3-diamine
PubChem CID89064293
Molecular FormulaC3H10N6O
Molecular Weight146.15 g/mol
Exact Mass146.09
IUPAC Name5-nitroso-1,3,5-triazinane-1,3-diamine
SMILESNN1CN(N)CN(N=O)C1
InChIInChI=1S/C3H10N6O/c4-7-1-8(5)3-9(2-7)6-10/h1-5H2
InChIKeyDJGASVDFSQEGDD-UHFFFAOYSA-N
XLogP-1.79
TPSA91.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
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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Related Compounds

1,3,5-Triamino-1,3,5-triazine
CID 18521007
5-Nitro-1,3,5-triazinane-1,3-diamine
CID 59344548
N-Hydroxy-3,5-dinitroso-1,3,5-triazinan-1-amine
CID 71360719
3,5-Dinitro-1,3,5-triazinan-1-amine
CID 59344524
3,5-Dinitroso-1,3,5-triazinan-1-amine
CID 134331492

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-1,3,5-triazinane-1,3-diamine?
The IUPAC name of 5-nitroso-1,3,5-triazinane-1,3-diamine (CID 89064293) is 5-nitroso-1,3,5-triazinane-1,3-diamine.
What is the SMILES notation for 5-nitroso-1,3,5-triazinane-1,3-diamine?
The canonical SMILES for 5-nitroso-1,3,5-triazinane-1,3-diamine is NN1CN(N)CN(N=O)C1.
What is the InChIKey of 5-nitroso-1,3,5-triazinane-1,3-diamine?
The InChIKey is DJGASVDFSQEGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N6O/c4-7-1-8(5)3-9(2-7)6-10/h1-5H2.
What are the key properties of 5-nitroso-1,3,5-triazinane-1,3-diamine?
5-nitroso-1,3,5-triazinane-1,3-diamine has a molecular weight of 146.15 g/mol, XLogP of -1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-1,3,5-triazinane-1,3-diamine is sourced from PubChem (CID 89064293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).