2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide

C16H18N6OS — CID 43955185

IUPAC2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
InChIInChI=1S/C16H18N6OS/c1-2-22-15-14(20-21-22)16(19-11-18-15)24-10-13(23)17-9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,17,23)
InChIKeyZYZQBALKCFJABM-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.69
Rot. Bonds7

About 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 43955185) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID43955185
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESCCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21
InChIInChI=1S/C16H18N6OS/c1-2-22-15-14(20-21-22)16(19-11-18-15)24-10-13(23)17-9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,17,23)
InChIKeyZYZQBALKCFJABM-UHFFFAOYSA-N
XLogP1.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 43955185) is 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide is CCn1nnc2c(SCC(=O)NCCc3ccccc3)ncnc21.
What is the InChIKey of 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is ZYZQBALKCFJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-2-22-15-14(20-21-22)16(19-11-18-15)24-10-13(23)17-9-8-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,17,23).
What are the key properties of 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 342.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 43955185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).