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

C9H10N4O2S — CID 43410667

IUPAC6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C9H10N4O2S/c1-5(6-3-2-4-16-6)10-7-8(14)11-9(15)13-12-7/h2-5H,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyMLTIBGLPUFSCAF-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.69
Rot. Bonds3

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

6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410667) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410667
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C9H10N4O2S/c1-5(6-3-2-4-16-6)10-7-8(14)11-9(15)13-12-7/h2-5H,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyMLTIBGLPUFSCAF-UHFFFAOYSA-N
XLogP0.69
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410667) is 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione is CC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1.
What is the InChIKey of 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MLTIBGLPUFSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-5(6-3-2-4-16-6)10-7-8(14)11-9(15)13-12-7/h2-5H,1H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 238.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-2-ylethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).