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

C12H20N4OS — CID 1451308

IUPACN-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)NC2CC2)n1CC
InChIInChI=1S/C12H20N4OS/c1-3-5-10-14-15-12(16(10)4-2)18-8-11(17)13-9-6-7-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyYTMDGOXTQAPWEQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.62
Rot. Bonds7

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

N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1451308) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1451308
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)NC2CC2)n1CC
InChIInChI=1S/C12H20N4OS/c1-3-5-10-14-15-12(16(10)4-2)18-8-11(17)13-9-6-7-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyYTMDGOXTQAPWEQ-UHFFFAOYSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.62
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-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1451308) is N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nnc(SCC(=O)NC2CC2)n1CC.
What is the InChIKey of N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YTMDGOXTQAPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-5-10-14-15-12(16(10)4-2)18-8-11(17)13-9-6-7-9/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.62, 7 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-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1451308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).