N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C8H8N6OS — CID 684399

IUPACN-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ncccn1
InChIInChI=1S/C8H8N6OS/c15-6(4-16-8-11-5-12-14-8)13-7-9-2-1-3-10-7/h1-3,5H,4H2,(H,11,12,14)(H,9,10,13,15)
InChIKeyGDBKXBRLLALHIN-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.33
Rot. Bonds4

About N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 684399) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID684399
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC NameN-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1ncccn1
InChIInChI=1S/C8H8N6OS/c15-6(4-16-8-11-5-12-14-8)13-7-9-2-1-3-10-7/h1-3,5H,4H2,(H,11,12,14)(H,9,10,13,15)
InChIKeyGDBKXBRLLALHIN-UHFFFAOYSA-N
XLogP0.33
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 684399) is N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is GDBKXBRLLALHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c15-6(4-16-8-11-5-12-14-8)13-7-9-2-1-3-10-7/h1-3,5H,4H2,(H,11,12,14)(H,9,10,13,15).
What are the key properties of N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 236.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 684399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).