2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C10H16N4OS — CID 6466045

IUPAC2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(N)=O)nnc1C1CC1
InChIInChI=1S/C10H16N4OS/c1-2-5-14-9(7-3-4-7)12-13-10(14)16-6-8(11)15/h7H,2-6H2,1H3,(H2,11,15)
InChIKeyHSJJQYCIJLVWSC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.14
Rot. Bonds6

About 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6466045) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6466045
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(N)=O)nnc1C1CC1
InChIInChI=1S/C10H16N4OS/c1-2-5-14-9(7-3-4-7)12-13-10(14)16-6-8(11)15/h7H,2-6H2,1H3,(H2,11,15)
InChIKeyHSJJQYCIJLVWSC-UHFFFAOYSA-N
XLogP1.14
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6466045) is 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(N)=O)nnc1C1CC1.
What is the InChIKey of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HSJJQYCIJLVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-5-14-9(7-3-4-7)12-13-10(14)16-6-8(11)15/h7H,2-6H2,1H3,(H2,11,15).
What are the key properties of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 240.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6466045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).