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

C11H15N5S — CID 13393654

IUPAC4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine
SMILESCCc1nc(N2CCSCC2)cc2nncn12
InChIInChI=1S/C11H15N5S/c1-2-9-13-10(15-3-5-17-6-4-15)7-11-14-12-8-16(9)11/h7-8H,2-6H2,1H3
InChIKeyPFQUEWGKHOOBAT-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.24
Rot. Bonds2

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

4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine (PubChem CID 13393654) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine
PubChem CID13393654
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine
SMILESCCc1nc(N2CCSCC2)cc2nncn12
InChIInChI=1S/C11H15N5S/c1-2-9-13-10(15-3-5-17-6-4-15)7-11-14-12-8-16(9)11/h7-8H,2-6H2,1H3
InChIKeyPFQUEWGKHOOBAT-UHFFFAOYSA-N
XLogP1.24
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine?
The IUPAC name of 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine (CID 13393654) is 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine.
What is the SMILES notation for 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine?
The canonical SMILES for 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine is CCc1nc(N2CCSCC2)cc2nncn12.
What is the InChIKey of 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine?
The InChIKey is PFQUEWGKHOOBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-9-13-10(15-3-5-17-6-4-15)7-11-14-12-8-16(9)11/h7-8H,2-6H2,1H3.
What are the key properties of 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine?
4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine has a molecular weight of 249.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)thiomorpholine is sourced from PubChem (CID 13393654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).