6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H16N4O2S — CID 61208200

IUPAC6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCc2cc3c(s2)CCC3)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O2S/c1-16-12(18)11(15-17(2)13(16)19)14-7-9-6-8-4-3-5-10(8)20-9/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyCHGGBDIDPMHWOH-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.64
Rot. Bonds3

About 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61208200) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61208200
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCc2cc3c(s2)CCC3)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O2S/c1-16-12(18)11(15-17(2)13(16)19)14-7-9-6-8-4-3-5-10(8)20-9/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyCHGGBDIDPMHWOH-UHFFFAOYSA-N
XLogP0.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61208200) is 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCc2cc3c(s2)CCC3)c(=O)n(C)c1=O.
What is the InChIKey of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is CHGGBDIDPMHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16-12(18)11(15-17(2)13(16)19)14-7-9-6-8-4-3-5-10(8)20-9/h6H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 292.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61208200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).