2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide

C7H8N6OS — CID 1491850

IUPAC2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C7H8N6OS/c8-4-1-6-10-3-11-13(6)7(12-4)15-2-5(9)14/h1,3H,2,8H2,(H2,9,14)
InChIKeyXQTKQOQVTWWPDE-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.72
Rot. Bonds3

About 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide

2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide (PubChem CID 1491850) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide
PubChem CID1491850
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C7H8N6OS/c8-4-1-6-10-3-11-13(6)7(12-4)15-2-5(9)14/h1,3H,2,8H2,(H2,9,14)
InChIKeyXQTKQOQVTWWPDE-UHFFFAOYSA-N
XLogP-0.72
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetic acid, ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-, ethyl ester
CID 601939
Acetic acid, ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-
CID 1500066
Acetamide, 2-((7-amino(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-N,N-dimethyl-
CID 1491279
Acetic acid, ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-, methyl ester
CID 1491851
Acetic acid, ((7-amino-(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-, hydrazide
CID 1491867
Acetamide, 2-((7-amino(1,2,4)triazolo(1,5-c)pyrimidin-5-yl)thio)-N-methyl-
CID 1500068
Acetonitrile, [(7-amino[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thio]-
CID 3840900
N,N'-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diyldiacetamide
CID 1491270
3-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41490939
[1,2,4]Triazolo[1,5-c]pyrimidin-7-amine, 5-(methylthio)-
CID 1491809
2-[(7-Amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetonitrile;ethane
CID 170791271
2-[(7-Iodo-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetonitrile
CID 178041178

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide (CID 1491850) is 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide is NC(=O)CSc1nc(N)cc2ncnn12.
What is the InChIKey of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide?
The InChIKey is XQTKQOQVTWWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c8-4-1-6-10-3-11-13(6)7(12-4)15-2-5(9)14/h1,3H,2,8H2,(H2,9,14).
What are the key properties of 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide?
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide has a molecular weight of 224.25 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 1491850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).