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

C10H16N4O4S — CID 43646877

IUPAC6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCS(=O)(=O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4S/c1-13-9(15)8(12-14(2)10(13)16)11-7-3-5-19(17,18)6-4-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyIMLBDCHPEIJPFX-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.53
Rot. Bonds2

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

6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43646877) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43646877
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCS(=O)(=O)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4S/c1-13-9(15)8(12-14(2)10(13)16)11-7-3-5-19(17,18)6-4-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyIMLBDCHPEIJPFX-UHFFFAOYSA-N
XLogP-1.53
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43646877) is 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCS(=O)(=O)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is IMLBDCHPEIJPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-13-9(15)8(12-14(2)10(13)16)11-7-3-5-19(17,18)6-4-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 288.33 g/mol, XLogP of -1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothian-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).