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

C11H14N4O2S — CID 54962998

IUPAC6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-2-4-7(8-5-3-6-18-8)12-9-10(16)13-11(17)15-14-9/h3,5-7H,2,4H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyFCKRBNUXBZINAA-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.47
Rot. Bonds5

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

6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 54962998) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID54962998
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-2-4-7(8-5-3-6-18-8)12-9-10(16)13-11(17)15-14-9/h3,5-7H,2,4H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyFCKRBNUXBZINAA-UHFFFAOYSA-N
XLogP1.47
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.47
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-ylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione (CID 54962998) is 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione is CCCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1.
What is the InChIKey of 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FCKRBNUXBZINAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-4-7(8-5-3-6-18-8)12-9-10(16)13-11(17)15-14-9/h3,5-7H,2,4H2,1H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione?
6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 266.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-2-ylbutylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54962998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).