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

C8H14N4OS — CID 1451228

IUPAC2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(N)=O)n1C
InChIInChI=1S/C8H14N4OS/c1-3-4-7-10-11-8(12(7)2)14-5-6(9)13/h3-5H2,1-2H3,(H2,9,13)
InChIKeyPAIHIDCOAHVVGI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.34
Rot. Bonds5

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

2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1451228) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1451228
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(N)=O)n1C
InChIInChI=1S/C8H14N4OS/c1-3-4-7-10-11-8(12(7)2)14-5-6(9)13/h3-5H2,1-2H3,(H2,9,13)
InChIKeyPAIHIDCOAHVVGI-UHFFFAOYSA-N
XLogP0.34
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1451228) is 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nnc(SCC(N)=O)n1C.
What is the InChIKey of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PAIHIDCOAHVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-4-7-10-11-8(12(7)2)14-5-6(9)13/h3-5H2,1-2H3,(H2,9,13).
What are the key properties of 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1451228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).