6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide

C10H16N4O2S — CID 14384669

IUPAC6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide
SMILESCN(C)C(=O)n1c(=S)[nH]nc(C(C)(C)C)c1=O
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)6-7(15)14(8(17)12-11-6)9(16)13(4)5/h1-5H3,(H,12,17)
InChIKeyLEGIRGLKWUJKOO-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.13
Rot. Bonds

About 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide

6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide (PubChem CID 14384669) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide
PubChem CID14384669
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide
SMILESCN(C)C(=O)n1c(=S)[nH]nc(C(C)(C)C)c1=O
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)6-7(15)14(8(17)12-11-6)9(16)13(4)5/h1-5H3,(H,12,17)
InChIKeyLEGIRGLKWUJKOO-UHFFFAOYSA-N
XLogP1.13
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide 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 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide (CID 14384669) is 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide is CN(C)C(=O)n1c(=S)[nH]nc(C(C)(C)C)c1=O.
What is the InChIKey of 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide?
The InChIKey is LEGIRGLKWUJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-10(2,3)6-7(15)14(8(17)12-11-6)9(16)13(4)5/h1-5H3,(H,12,17).
What are the key properties of 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide?
6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,N-dimethyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-4-carboxamide is sourced from PubChem (CID 14384669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).