6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one

C10H18N4OS — CID 21277254

IUPAC6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(C(C)(C)C)c(=O)n1N(C)C
InChIInChI=1S/C10H18N4OS/c1-10(2,3)7-8(15)14(13(4)5)9(16-6)12-11-7/h1-6H3
InChIKeyQKRHGIHZZUMUFJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.86
Rot. Bonds2

About 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one

6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 21277254) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID21277254
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(C(C)(C)C)c(=O)n1N(C)C
InChIInChI=1S/C10H18N4OS/c1-10(2,3)7-8(15)14(13(4)5)9(16-6)12-11-7/h1-6H3
InChIKeyQKRHGIHZZUMUFJ-UHFFFAOYSA-N
XLogP0.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one (CID 21277254) is 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one is CSc1nnc(C(C)(C)C)c(=O)n1N(C)C.
What is the InChIKey of 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is QKRHGIHZZUMUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-10(2,3)7-8(15)14(13(4)5)9(16-6)12-11-7/h1-6H3.
What are the key properties of 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 242.35 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(dimethylamino)-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 21277254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).