5-nitro-1,3,5-triazinane-1,3-diamine

C3H10N6O2 — CID 59344548

IUPAC5-nitro-1,3,5-triazinane-1,3-diamine
SMILESNN1CN(N)CN([N+](=O)[O-])C1
InChIInChI=1S/C3H10N6O2/c4-6-1-7(5)3-8(2-6)9(10)11/h1-5H2
InChIKeyICRIQJHYXFQHPT-UHFFFAOYSA-N
MW162.15 g/mol
LogP-2.28
Rot. Bonds1

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

5-nitro-1,3,5-triazinane-1,3-diamine (PubChem CID 59344548) has the molecular formula C3H10N6O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-nitro-1,3,5-triazinane-1,3-diamine.

Molecular Properties

Compound Name5-nitro-1,3,5-triazinane-1,3-diamine
PubChem CID59344548
Molecular FormulaC3H10N6O2
Molecular Weight162.15 g/mol
Exact Mass162.09
IUPAC Name5-nitro-1,3,5-triazinane-1,3-diamine
SMILESNN1CN(N)CN([N+](=O)[O-])C1
InChIInChI=1S/C3H10N6O2/c4-6-1-7(5)3-8(2-6)9(10)11/h1-5H2
InChIKeyICRIQJHYXFQHPT-UHFFFAOYSA-N
XLogP-2.28
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 5-nitro-1,3,5-triazinane-1,3-diamine?
The IUPAC name of 5-nitro-1,3,5-triazinane-1,3-diamine (CID 59344548) is 5-nitro-1,3,5-triazinane-1,3-diamine.
What is the SMILES notation for 5-nitro-1,3,5-triazinane-1,3-diamine?
The canonical SMILES for 5-nitro-1,3,5-triazinane-1,3-diamine is NN1CN(N)CN([N+](=O)[O-])C1.
What is the InChIKey of 5-nitro-1,3,5-triazinane-1,3-diamine?
The InChIKey is ICRIQJHYXFQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N6O2/c4-6-1-7(5)3-8(2-6)9(10)11/h1-5H2.
What are the key properties of 5-nitro-1,3,5-triazinane-1,3-diamine?
5-nitro-1,3,5-triazinane-1,3-diamine has a molecular weight of 162.15 g/mol, XLogP of -2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1,3,5-triazinane-1,3-diamine is sourced from PubChem (CID 59344548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).