1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione

C9H18N4S2 — CID 174624657

IUPAC1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione
SMILESCCCCCCC1NC(=S)NC(=S)N1N
InChIInChI=1S/C9H18N4S2/c1-2-3-4-5-6-7-11-8(14)12-9(15)13(7)10/h7H,2-6,10H2,1H3,(H2,11,12,14,15)
InChIKeyCXKDOFLRPAXPQJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.22
Rot. Bonds5

About 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione

1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione (PubChem CID 174624657) has the molecular formula C9H18N4S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione.

Molecular Properties

Compound Name1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione
PubChem CID174624657
Molecular FormulaC9H18N4S2
Molecular Weight246.40 g/mol
Exact Mass246.10
IUPAC Name1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione
SMILESCCCCCCC1NC(=S)NC(=S)N1N
InChIInChI=1S/C9H18N4S2/c1-2-3-4-5-6-7-11-8(14)12-9(15)13(7)10/h7H,2-6,10H2,1H3,(H2,11,12,14,15)
InChIKeyCXKDOFLRPAXPQJ-UHFFFAOYSA-N
XLogP1.22
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione 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-amino-6-hexyl-1,3,5-triazinane-2,4-dithione?
The IUPAC name of 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione (CID 174624657) is 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione.
What is the SMILES notation for 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione?
The canonical SMILES for 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione is CCCCCCC1NC(=S)NC(=S)N1N.
What is the InChIKey of 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione?
The InChIKey is CXKDOFLRPAXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S2/c1-2-3-4-5-6-7-11-8(14)12-9(15)13(7)10/h7H,2-6,10H2,1H3,(H2,11,12,14,15).
What are the key properties of 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione?
1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione has a molecular weight of 246.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-hexyl-1,3,5-triazinane-2,4-dithione is sourced from PubChem (CID 174624657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).