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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Launch Full Analysis

Related Compounds

4-amino-6-[(4-ethoxyphenyl)methyl]-3-methylsulfanyl-1,2,4-triazin-5-one
CID 96708253
4-amino-3-hexylsulfanyl-6-phenyl-1,2,4-triazin-5-one
CID 21422679
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615
5-undecyl-1,2,4-triazole-3,4-diamine
CID 574678
5-heptyl-1,2,4-triazole-3,4-diamine
CID 79006366
4-amino-6-(2-chloro-1-methylcyclopropyl)-3-methylsulfanyl-1,2,4-triazin-5-one
CID 13103139
9,18-dihexyl-5,14-dipentyl-6,7,9,15,16,18-hexazahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2(11),3(8),4,6,12,14,16,20(22)-nonaene-10,19-dione
CID 62706599
5-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 4962421
2-cyclohexyl-4-heptylimidazole-1,5-diamine
CID 63468221
3-amino-2-heptylquinazolin-4-one
CID 154013236
3-(methylaminomethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine
CID 11240760
4-butyl-3-methyl-5-methylsulfanyl-1,2,4-triazole
CID 23459247

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).