4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one

C10H18N4OS — CID 23274395

IUPAC4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCCCCCCc1nnc(SC)n(N)c1=O
InChIInChI=1S/C10H18N4OS/c1-3-4-5-6-7-8-9(15)14(11)10(16-2)13-12-8/h3-7,11H2,1-2H3
InChIKeyWBOVZFSEMBMSIG-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.20
Rot. Bonds6

About 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one

4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 23274395) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID23274395
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCCCCCCc1nnc(SC)n(N)c1=O
InChIInChI=1S/C10H18N4OS/c1-3-4-5-6-7-8-9(15)14(11)10(16-2)13-12-8/h3-7,11H2,1-2H3
InChIKeyWBOVZFSEMBMSIG-UHFFFAOYSA-N
XLogP1.20
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one (CID 23274395) is 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one is CCCCCCc1nnc(SC)n(N)c1=O.
What is the InChIKey of 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is WBOVZFSEMBMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-4-5-6-7-8-9(15)14(11)10(16-2)13-12-8/h3-7,11H2,1-2H3.
What are the key properties of 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one?
4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 242.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-hexyl-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 23274395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).