6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione

C10H12N4O2S — CID 61362011

IUPAC6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1ccc(C(C)Nc2n[nH]c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H12N4O2S/c1-5-3-4-7(17-5)6(2)11-8-9(15)12-10(16)14-13-8/h3-4,6H,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyIKWUEUQOEUHTMU-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.00
Rot. Bonds3

About 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione

6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61362011) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID61362011
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1ccc(C(C)Nc2n[nH]c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H12N4O2S/c1-5-3-4-7(17-5)6(2)11-8-9(15)12-10(16)14-13-8/h3-4,6H,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyIKWUEUQOEUHTMU-UHFFFAOYSA-N
XLogP1.00
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 61362011) is 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione is Cc1ccc(C(C)Nc2n[nH]c(=O)[nH]c2=O)s1.
What is the InChIKey of 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is IKWUEUQOEUHTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-5-3-4-7(17-5)6(2)11-8-9(15)12-10(16)14-13-8/h3-4,6H,1-2H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 252.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylthiophen-2-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61362011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).