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

C10H13N5OS — CID 13393636

IUPAC4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine
SMILESCSc1nc(N2CCOCC2)cc2nncn12
InChIInChI=1S/C10H13N5OS/c1-17-10-12-8(14-2-4-16-5-3-14)6-9-13-11-7-15(9)10/h6-7H,2-5H2,1H3
InChIKeyVVJZFHLPGUNZLF-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.68
Rot. Bonds2

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

4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine (PubChem CID 13393636) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine
PubChem CID13393636
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine
SMILESCSc1nc(N2CCOCC2)cc2nncn12
InChIInChI=1S/C10H13N5OS/c1-17-10-12-8(14-2-4-16-5-3-14)6-9-13-11-7-15(9)10/h6-7H,2-5H2,1H3
InChIKeyVVJZFHLPGUNZLF-UHFFFAOYSA-N
XLogP0.68
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine (CID 13393636) is 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine is CSc1nc(N2CCOCC2)cc2nncn12.
What is the InChIKey of 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine?
The InChIKey is VVJZFHLPGUNZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-17-10-12-8(14-2-4-16-5-3-14)6-9-13-11-7-15(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine?
4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine has a molecular weight of 251.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 13393636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).