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

C9H14N4OS — CID 9379440

IUPACN-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1cnnc1SCC(=O)NC1CC1
InChIInChI=1S/C9H14N4OS/c1-2-13-6-10-12-9(13)15-5-8(14)11-7-3-4-7/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyLJYMZWZBFOVNJN-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.67
Rot. Bonds5

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

N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9379440) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9379440
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1cnnc1SCC(=O)NC1CC1
InChIInChI=1S/C9H14N4OS/c1-2-13-6-10-12-9(13)15-5-8(14)11-7-3-4-7/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyLJYMZWZBFOVNJN-UHFFFAOYSA-N
XLogP0.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9379440) is N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1cnnc1SCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LJYMZWZBFOVNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-13-6-10-12-9(13)15-5-8(14)11-7-3-4-7/h6-7H,2-5H2,1H3,(H,11,14).
What are the key properties of N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 226.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9379440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).