3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole

C12H13N5OS — CID 8942796

IUPAC3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(C)n2nc(SCc3cc(C)on3)nc2n1
InChIInChI=1S/C12H13N5OS/c1-7-4-8(2)17-11(13-7)14-12(15-17)19-6-10-5-9(3)18-16-10/h4-5H,6H2,1-3H3
InChIKeyMUAMCSUYQBOTOY-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.33
Rot. Bonds3

About 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole

3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 8942796) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID8942796
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(C)n2nc(SCc3cc(C)on3)nc2n1
InChIInChI=1S/C12H13N5OS/c1-7-4-8(2)17-11(13-7)14-12(15-17)19-6-10-5-9(3)18-16-10/h4-5H,6H2,1-3H3
InChIKeyMUAMCSUYQBOTOY-UHFFFAOYSA-N
XLogP2.33
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole (CID 8942796) is 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole is Cc1cc(C)n2nc(SCc3cc(C)on3)nc2n1.
What is the InChIKey of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is MUAMCSUYQBOTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-7-4-8(2)17-11(13-7)14-12(15-17)19-6-10-5-9(3)18-16-10/h4-5H,6H2,1-3H3.
What are the key properties of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole?
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 275.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 8942796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).