7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C15H23N5OS — CID 133311255

IUPAC7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSC1CCCCN(c2cc(COC)nc3ncnn23)C1
InChIInChI=1S/C15H23N5OS/c1-3-22-13-6-4-5-7-19(9-13)14-8-12(10-21-2)18-15-16-11-17-20(14)15/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyJKLQLGJCJJAZMN-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.38
Rot. Bonds5

About 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133311255) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133311255
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSC1CCCCN(c2cc(COC)nc3ncnn23)C1
InChIInChI=1S/C15H23N5OS/c1-3-22-13-6-4-5-7-19(9-13)14-8-12(10-21-2)18-15-16-11-17-20(14)15/h8,11,13H,3-7,9-10H2,1-2H3
InChIKeyJKLQLGJCJJAZMN-UHFFFAOYSA-N
XLogP2.38
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 78845347
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
5-(methoxymethyl)-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126934173
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
CID 133330365
N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 133481382
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133311255) is 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCSC1CCCCN(c2cc(COC)nc3ncnn23)C1.
What is the InChIKey of 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JKLQLGJCJJAZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-3-22-13-6-4-5-7-19(9-13)14-8-12(10-21-2)18-15-16-11-17-20(14)15/h8,11,13H,3-7,9-10H2,1-2H3.
What are the key properties of 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 321.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133311255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).