5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C17H21N5S — CID 12915229

IUPAC5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(CCC)n2nc(SCc3cccnc3)nc2n1
InChIInChI=1S/C17H21N5S/c1-3-6-14-10-15(7-4-2)22-16(19-14)20-17(21-22)23-12-13-8-5-9-18-11-13/h5,8-11H,3-4,6-7,12H2,1-2H3
InChIKeyRUSGYQOSZHYENU-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.72
Rot. Bonds7

About 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 12915229) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID12915229
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(CCC)n2nc(SCc3cccnc3)nc2n1
InChIInChI=1S/C17H21N5S/c1-3-6-14-10-15(7-4-2)22-16(19-14)20-17(21-22)23-12-13-8-5-9-18-11-13/h5,8-11H,3-4,6-7,12H2,1-2H3
InChIKeyRUSGYQOSZHYENU-UHFFFAOYSA-N
XLogP3.72
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 12915229) is 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1cc(CCC)n2nc(SCc3cccnc3)nc2n1.
What is the InChIKey of 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RUSGYQOSZHYENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-3-6-14-10-15(7-4-2)22-16(19-14)20-17(21-22)23-12-13-8-5-9-18-11-13/h5,8-11H,3-4,6-7,12H2,1-2H3.
What are the key properties of 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 327.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dipropyl-2-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12915229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).