4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

C13H19N5O2S — CID 75379030

IUPAC4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCc1nc2ncnn2c(N2CCS(=O)(=O)C(C)(C)C2)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)16-12-14-8-15-18(12)11(9)17-5-6-21(19,20)13(3,4)7-17/h8H,5-7H2,1-4H3
InChIKeyYKGSRKFLYDESQT-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.75
Rot. Bonds1

About 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 75379030) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID75379030
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCc1nc2ncnn2c(N2CCS(=O)(=O)C(C)(C)C2)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-10(2)16-12-14-8-15-18(12)11(9)17-5-6-21(19,20)13(3,4)7-17/h8H,5-7H2,1-4H3
InChIKeyYKGSRKFLYDESQT-UHFFFAOYSA-N
XLogP0.75
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 75379030) is 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is Cc1nc2ncnn2c(N2CCS(=O)(=O)C(C)(C)C2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is YKGSRKFLYDESQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-10(2)16-12-14-8-15-18(12)11(9)17-5-6-21(19,20)13(3,4)7-17/h8H,5-7H2,1-4H3.
What are the key properties of 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 309.40 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 75379030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).