2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione

C13H18N4O2S — CID 60667201

IUPAC2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
SMILESCC(C)C(Nc1nn(C)c(=O)n(C)c1=O)c1cccs1
InChIInChI=1S/C13H18N4O2S/c1-8(2)10(9-6-5-7-20-9)14-11-12(18)16(3)13(19)17(4)15-11/h5-8,10H,1-4H3,(H,14,15)
InChIKeyXPXAHTSTJDVUEV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.35
Rot. Bonds4

About 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione (PubChem CID 60667201) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
PubChem CID60667201
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
SMILESCC(C)C(Nc1nn(C)c(=O)n(C)c1=O)c1cccs1
InChIInChI=1S/C13H18N4O2S/c1-8(2)10(9-6-5-7-20-9)14-11-12(18)16(3)13(19)17(4)15-11/h5-8,10H,1-4H3,(H,14,15)
InChIKeyXPXAHTSTJDVUEV-UHFFFAOYSA-N
XLogP1.35
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione (CID 60667201) is 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione is CC(C)C(Nc1nn(C)c(=O)n(C)c1=O)c1cccs1.
What is the InChIKey of 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
The InChIKey is XPXAHTSTJDVUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(2)10(9-6-5-7-20-9)14-11-12(18)16(3)13(19)17(4)15-11/h5-8,10H,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione has a molecular weight of 294.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60667201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).