N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide

C9H14N4O2S — CID 539915

IUPACN-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide
SMILESCCCSc1nc(NC(C)=O)nn1C(C)=O
InChIInChI=1S/C9H14N4O2S/c1-4-5-16-9-11-8(10-6(2)14)12-13(9)7(3)15/h4-5H2,1-3H3,(H,10,12,14)
InChIKeyMCZUGQDKZBRHKI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.40
Rot. Bonds4

About N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide

N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 539915) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide
PubChem CID539915
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide
SMILESCCCSc1nc(NC(C)=O)nn1C(C)=O
InChIInChI=1S/C9H14N4O2S/c1-4-5-16-9-11-8(10-6(2)14)12-13(9)7(3)15/h4-5H2,1-3H3,(H,10,12,14)
InChIKeyMCZUGQDKZBRHKI-UHFFFAOYSA-N
XLogP1.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide (CID 539915) is N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide is CCCSc1nc(NC(C)=O)nn1C(C)=O.
What is the InChIKey of N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is MCZUGQDKZBRHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-4-5-16-9-11-8(10-6(2)14)12-13(9)7(3)15/h4-5H2,1-3H3,(H,10,12,14).
What are the key properties of N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide?
N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 242.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-5-propylsulfanyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 539915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).