1,3,5-triazinane-1,3,5-triamine

C3H12N6 — CID 18521007

IUPAC1,3,5-triazinane-1,3,5-triamine
SMILESNN1CN(N)CN(N)C1
InChIInChI=1S/C3H12N6/c4-7-1-8(5)3-9(6)2-7/h1-6H2
InChIKeyDXHSASRDAUZUCC-UHFFFAOYSA-N
MW132.17 g/mol
LogP-2.60
Rot. Bonds

About 1,3,5-triazinane-1,3,5-triamine

1,3,5-triazinane-1,3,5-triamine (PubChem CID 18521007) has the molecular formula C3H12N6 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,3,5-triazinane-1,3,5-triamine.

Molecular Properties

Compound Name1,3,5-triazinane-1,3,5-triamine
PubChem CID18521007
Molecular FormulaC3H12N6
Molecular Weight132.17 g/mol
Exact Mass132.11
IUPAC Name1,3,5-triazinane-1,3,5-triamine
SMILESNN1CN(N)CN(N)C1
InChIInChI=1S/C3H12N6/c4-7-1-8(5)3-9(6)2-7/h1-6H2
InChIKeyDXHSASRDAUZUCC-UHFFFAOYSA-N
XLogP-2.60
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-2.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3,5-triazinane-1,3,5-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazinane-1,3,5-triamine?
The IUPAC name of 1,3,5-triazinane-1,3,5-triamine (CID 18521007) is 1,3,5-triazinane-1,3,5-triamine.
What is the SMILES notation for 1,3,5-triazinane-1,3,5-triamine?
The canonical SMILES for 1,3,5-triazinane-1,3,5-triamine is NN1CN(N)CN(N)C1.
What is the InChIKey of 1,3,5-triazinane-1,3,5-triamine?
The InChIKey is DXHSASRDAUZUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N6/c4-7-1-8(5)3-9(6)2-7/h1-6H2.
What are the key properties of 1,3,5-triazinane-1,3,5-triamine?
1,3,5-triazinane-1,3,5-triamine has a molecular weight of 132.17 g/mol, XLogP of -2.60, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazinane-1,3,5-triamine is sourced from PubChem (CID 18521007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).