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

C13H18N4O2S — CID 78962934

IUPAC2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)c2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C13H18N4O2S/c1-13(2,9-6-5-7-20-9)8-14-10-11(18)16(3)12(19)17(4)15-10/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyFWFIDMLSRUBEIM-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.93
Rot. Bonds4

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

2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione (PubChem CID 78962934) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
PubChem CID78962934
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(C)(C)c2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C13H18N4O2S/c1-13(2,9-6-5-7-20-9)8-14-10-11(18)16(3)12(19)17(4)15-10/h5-7H,8H2,1-4H3,(H,14,15)
InChIKeyFWFIDMLSRUBEIM-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione (CID 78962934) is 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione is Cn1nc(NCC(C)(C)c2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
The InChIKey is FWFIDMLSRUBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,9-6-5-7-20-9)8-14-10-11(18)16(3)12(19)17(4)15-10/h5-7H,8H2,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione has a molecular weight of 294.38 g/mol, XLogP of 0.93, 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-2-thiophen-2-ylpropyl)amino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78962934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).