5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine

C11H15N5S — CID 82382973

IUPAC5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCSc1nc(C2CCCNC2)cc2ncnn12
InChIInChI=1S/C11H15N5S/c1-17-11-15-9(8-3-2-4-12-6-8)5-10-13-7-14-16(10)11/h5,7-8,12H,2-4,6H2,1H3
InChIKeySSJAJAWSTVQMRZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.31
Rot. Bonds2

About 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine

5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 82382973) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID82382973
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCSc1nc(C2CCCNC2)cc2ncnn12
InChIInChI=1S/C11H15N5S/c1-17-11-15-9(8-3-2-4-12-6-8)5-10-13-7-14-16(10)11/h5,7-8,12H,2-4,6H2,1H3
InChIKeySSJAJAWSTVQMRZ-UHFFFAOYSA-N
XLogP1.31
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 160529095
2-(4-fluorophenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 110214014
7-methyl-N-(1-piperidin-3-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62045875
3-(2-methyl-4-methylsulfanylphenyl)piperidine
CID 117317191
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
tert-butyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;7-methylsulfanyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 157052045
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 89363808
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 82382973) is 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine is CSc1nc(C2CCCNC2)cc2ncnn12.
What is the InChIKey of 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is SSJAJAWSTVQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-17-11-15-9(8-3-2-4-12-6-8)5-10-13-7-14-16(10)11/h5,7-8,12H,2-4,6H2,1H3.
What are the key properties of 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine?
5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 249.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-7-piperidin-3-yl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 82382973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).