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

C10H13N5O2S — CID 55259694

IUPAC2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N5O2S/c1-14-9(16)8(13-15(2)10(14)17)11-4-3-7-5-18-6-12-7/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyOJDKRUZQLPHBHJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.41
Rot. Bonds4

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

2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione (PubChem CID 55259694) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
PubChem CID55259694
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCc2cscn2)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N5O2S/c1-14-9(16)8(13-15(2)10(14)17)11-4-3-7-5-18-6-12-7/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyOJDKRUZQLPHBHJ-UHFFFAOYSA-N
XLogP-0.41
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione (CID 55259694) is 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione is Cn1nc(NCCc2cscn2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
The InChIKey is OJDKRUZQLPHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-14-9(16)8(13-15(2)10(14)17)11-4-3-7-5-18-6-12-7/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione has a molecular weight of 267.31 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55259694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).