3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

C8H9N5OS — CID 41490939

IUPAC3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESNC(=O)CCSc1nc2ncccn2n1
InChIInChI=1S/C8H9N5OS/c9-6(14)2-5-15-8-11-7-10-3-1-4-13(7)12-8/h1,3-4H,2,5H2,(H2,9,14)
InChIKeyLGTWDSBBSHJEJN-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.09
Rot. Bonds4

About 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide

3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (PubChem CID 41490939) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
PubChem CID41490939
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
SMILESNC(=O)CCSc1nc2ncccn2n1
InChIInChI=1S/C8H9N5OS/c9-6(14)2-5-15-8-11-7-10-3-1-4-13(7)12-8/h1,3-4H,2,5H2,(H2,9,14)
InChIKeyLGTWDSBBSHJEJN-UHFFFAOYSA-N
XLogP0.09
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide (CID 41490939) is 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is NC(=O)CCSc1nc2ncccn2n1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
The InChIKey is LGTWDSBBSHJEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-6(14)2-5-15-8-11-7-10-3-1-4-13(7)12-8/h1,3-4H,2,5H2,(H2,9,14).
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide?
3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide has a molecular weight of 223.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide is sourced from PubChem (CID 41490939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).