4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine

C11H20N6OS — CID 114124081

IUPAC4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NC2CCCCC2SC)n1
InChIInChI=1S/C11H20N6OS/c1-18-11-15-9(14-10(16-11)17-12)13-7-5-3-4-6-8(7)19-2/h7-8H,3-6,12H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyFDLGFPBDAWWQOI-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.25
Rot. Bonds5

About 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 114124081) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID114124081
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NC2CCCCC2SC)n1
InChIInChI=1S/C11H20N6OS/c1-18-11-15-9(14-10(16-11)17-12)13-7-5-3-4-6-8(7)19-2/h7-8H,3-6,12H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyFDLGFPBDAWWQOI-UHFFFAOYSA-N
XLogP1.25
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine (CID 114124081) is 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine is COc1nc(NN)nc(NC2CCCCC2SC)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is FDLGFPBDAWWQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-18-11-15-9(14-10(16-11)17-12)13-7-5-3-4-6-8(7)19-2/h7-8H,3-6,12H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-(2-methylsulfanylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114124081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).