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

C10H12N4O2S — CID 54964777

IUPAC6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C10H12N4O2S/c1-2-6(7-4-3-5-17-7)11-8-9(15)12-10(16)14-13-8/h3-6H,2H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyWBTBSRGIPMSELT-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.08
Rot. Bonds4

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

6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 54964777) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID54964777
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C10H12N4O2S/c1-2-6(7-4-3-5-17-7)11-8-9(15)12-10(16)14-13-8/h3-6H,2H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyWBTBSRGIPMSELT-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione (CID 54964777) is 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione is CCC(Nc1n[nH]c(=O)[nH]c1=O)c1cccs1.
What is the InChIKey of 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WBTBSRGIPMSELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-2-6(7-4-3-5-17-7)11-8-9(15)12-10(16)14-13-8/h3-6H,2H2,1H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 252.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-thiophen-2-ylpropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54964777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).