N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide

C8H14N4OS — CID 9379491

IUPACN-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
SMILESCCn1cnnc1SCCNC(C)=O
InChIInChI=1S/C8H14N4OS/c1-3-12-6-10-11-8(12)14-5-4-9-7(2)13/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyPXHGBGLAIMHOBJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.53
Rot. Bonds5

About N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide

N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide (PubChem CID 9379491) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
PubChem CID9379491
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
SMILESCCn1cnnc1SCCNC(C)=O
InChIInChI=1S/C8H14N4OS/c1-3-12-6-10-11-8(12)14-5-4-9-7(2)13/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyPXHGBGLAIMHOBJ-UHFFFAOYSA-N
XLogP0.53
TPSA59.81 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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide (CID 9379491) is N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide is CCn1cnnc1SCCNC(C)=O.
What is the InChIKey of N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
The InChIKey is PXHGBGLAIMHOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-12-6-10-11-8(12)14-5-4-9-7(2)13/h6H,3-5H2,1-2H3,(H,9,13).
What are the key properties of N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide?
N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide is sourced from PubChem (CID 9379491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).