2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol

C13H19N5OS — CID 133357835

IUPAC2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H19N5OS/c1-3-20-10-4-5-13(10,19)7-14-11-6-9(2)17-12-15-8-16-18(11)12/h6,8,10,14,19H,3-5,7H2,1-2H3
InChIKeyNWXBTTDKDMRTSE-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.49
Rot. Bonds5

About 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol

2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 133357835) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
PubChem CID133357835
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1cc(C)nc2ncnn12
InChIInChI=1S/C13H19N5OS/c1-3-20-10-4-5-13(10,19)7-14-11-6-9(2)17-12-15-8-16-18(11)12/h6,8,10,14,19H,3-5,7H2,1-2H3
InChIKeyNWXBTTDKDMRTSE-UHFFFAOYSA-N
XLogP1.49
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol (CID 133357835) is 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol is CCSC1CCC1(O)CNc1cc(C)nc2ncnn12.
What is the InChIKey of 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is NWXBTTDKDMRTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-20-10-4-5-13(10,19)7-14-11-6-9(2)17-12-15-8-16-18(11)12/h6,8,10,14,19H,3-5,7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol?
2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 293.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 133357835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).