N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

C11H15N5OS — CID 1458103

IUPACN-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc2ncccn12
InChIInChI=1S/C11H15N5OS/c1-11(2,3)13-8(17)7-18-10-15-14-9-12-5-4-6-16(9)10/h4-6H,7H2,1-3H3,(H,13,17)
InChIKeyAVDNZRRQVBEDAF-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.13
Rot. Bonds3

About N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (PubChem CID 1458103) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
PubChem CID1458103
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc2ncccn12
InChIInChI=1S/C11H15N5OS/c1-11(2,3)13-8(17)7-18-10-15-14-9-12-5-4-6-16(9)10/h4-6H,7H2,1-3H3,(H,13,17)
InChIKeyAVDNZRRQVBEDAF-UHFFFAOYSA-N
XLogP1.13
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The IUPAC name of N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (CID 1458103) is N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is CC(C)(C)NC(=O)CSc1nnc2ncccn12.
What is the InChIKey of N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The InChIKey is AVDNZRRQVBEDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-11(2,3)13-8(17)7-18-10-15-14-9-12-5-4-6-16(9)10/h4-6H,7H2,1-3H3,(H,13,17).
What are the key properties of N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 1458103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).