2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide

C8H13N5OS — CID 103062190

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide
SMILESNc1ncn(CC(=O)NC2CCSC2)n1
InChIInChI=1S/C8H13N5OS/c9-8-10-5-13(12-8)3-7(14)11-6-1-2-15-4-6/h5-6H,1-4H2,(H2,9,12)(H,11,14)
InChIKeyMOKNONOBMXBUAV-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.52
Rot. Bonds3

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide (PubChem CID 103062190) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide
PubChem CID103062190
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide
SMILESNc1ncn(CC(=O)NC2CCSC2)n1
InChIInChI=1S/C8H13N5OS/c9-8-10-5-13(12-8)3-7(14)11-6-1-2-15-4-6/h5-6H,1-4H2,(H2,9,12)(H,11,14)
InChIKeyMOKNONOBMXBUAV-UHFFFAOYSA-N
XLogP-0.52
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide (CID 103062190) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide is Nc1ncn(CC(=O)NC2CCSC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide?
The InChIKey is MOKNONOBMXBUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c9-8-10-5-13(12-8)3-7(14)11-6-1-2-15-4-6/h5-6H,1-4H2,(H2,9,12)(H,11,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide has a molecular weight of 227.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 103062190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).