5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine

C12H22N4S — CID 104925329

IUPAC5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine
SMILESCSCCCCCCNc1nnc(C)c(C)n1
InChIInChI=1S/C12H22N4S/c1-10-11(2)15-16-12(14-10)13-8-6-4-5-7-9-17-3/h4-9H2,1-3H3,(H,13,14,16)
InChIKeyHJCLORZDWAOREV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.82
Rot. Bonds8

About 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine (PubChem CID 104925329) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine
PubChem CID104925329
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine
SMILESCSCCCCCCNc1nnc(C)c(C)n1
InChIInChI=1S/C12H22N4S/c1-10-11(2)15-16-12(14-10)13-8-6-4-5-7-9-17-3/h4-9H2,1-3H3,(H,13,14,16)
InChIKeyHJCLORZDWAOREV-UHFFFAOYSA-N
XLogP2.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine 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 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine (CID 104925329) is 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine is CSCCCCCCNc1nnc(C)c(C)n1.
What is the InChIKey of 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine?
The InChIKey is HJCLORZDWAOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10-11(2)15-16-12(14-10)13-8-6-4-5-7-9-17-3/h4-9H2,1-3H3,(H,13,14,16).
What are the key properties of 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine has a molecular weight of 254.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 104925329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).