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

C10H12N4O2S — CID 61223116

IUPAC6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(Cc1ccsc1)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2S/c1-6(4-7-2-3-17-5-7)11-8-9(15)12-10(16)14-13-8/h2-3,5-6H,4H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyUSNWFNRKJIKKOI-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.56
Rot. Bonds4

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

6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 61223116) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID61223116
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(Cc1ccsc1)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2S/c1-6(4-7-2-3-17-5-7)11-8-9(15)12-10(16)14-13-8/h2-3,5-6H,4H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyUSNWFNRKJIKKOI-UHFFFAOYSA-N
XLogP0.56
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (CID 61223116) is 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is CC(Cc1ccsc1)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is USNWFNRKJIKKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6(4-7-2-3-17-5-7)11-8-9(15)12-10(16)14-13-8/h2-3,5-6H,4H2,1H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 252.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-3-ylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61223116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).