3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine

C11H15N5S — CID 82904196

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine
SMILESCc1cc2nnc(C3CSCCN3)n2c(C)n1
InChIInChI=1S/C11H15N5S/c1-7-5-10-14-15-11(16(10)8(2)13-7)9-6-17-4-3-12-9/h5,9,12H,3-4,6H2,1-2H3
InChIKeyDOIIEVWSJYXLOK-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.12
Rot. Bonds1

About 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine

3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine (PubChem CID 82904196) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine
PubChem CID82904196
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine
SMILESCc1cc2nnc(C3CSCCN3)n2c(C)n1
InChIInChI=1S/C11H15N5S/c1-7-5-10-14-15-11(16(10)8(2)13-7)9-6-17-4-3-12-9/h5,9,12H,3-4,6H2,1-2H3
InChIKeyDOIIEVWSJYXLOK-UHFFFAOYSA-N
XLogP1.12
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine (CID 82904196) is 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine is Cc1cc2nnc(C3CSCCN3)n2c(C)n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine?
The InChIKey is DOIIEVWSJYXLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-5-10-14-15-11(16(10)8(2)13-7)9-6-17-4-3-12-9/h5,9,12H,3-4,6H2,1-2H3.
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine?
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine has a molecular weight of 249.34 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine is sourced from PubChem (CID 82904196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).