3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine

C8H11N5S — CID 43955287

IUPAC3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
SMILESCCCSc1ncnc2c1nnn2C
InChIInChI=1S/C8H11N5S/c1-3-4-14-8-6-7(9-5-10-8)13(2)12-11-6/h5H,3-4H2,1-2H3
InChIKeyMAEIBSYSSCOGLE-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.26
Rot. Bonds3

About 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine

3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine (PubChem CID 43955287) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
PubChem CID43955287
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
SMILESCCCSc1ncnc2c1nnn2C
InChIInChI=1S/C8H11N5S/c1-3-4-14-8-6-7(9-5-10-8)13(2)12-11-6/h5H,3-4H2,1-2H3
InChIKeyMAEIBSYSSCOGLE-UHFFFAOYSA-N
XLogP1.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine (CID 43955287) is 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine is CCCSc1ncnc2c1nnn2C.
What is the InChIKey of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
The InChIKey is MAEIBSYSSCOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-4-14-8-6-7(9-5-10-8)13(2)12-11-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine?
3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine has a molecular weight of 209.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 43955287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).