2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione

C11H14N4O2S — CID 17392893

IUPAC2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N4O2S/c1-14-10(16)9(13-15(2)11(14)17)12-6-5-8-4-3-7-18-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyUQOWOXKIGQDVPX-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.20
Rot. Bonds4

About 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione (PubChem CID 17392893) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione
PubChem CID17392893
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N4O2S/c1-14-10(16)9(13-15(2)11(14)17)12-6-5-8-4-3-7-18-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyUQOWOXKIGQDVPX-UHFFFAOYSA-N
XLogP0.20
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.20
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-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione (CID 17392893) is 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NCCc2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is UQOWOXKIGQDVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-14-10(16)9(13-15(2)11(14)17)12-6-5-8-4-3-7-18-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(2-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 266.33 g/mol, XLogP of 0.20, 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-thiophen-2-ylethylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 17392893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).