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

C11H18N4O2S — CID 43812616

IUPACN-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(C)nnc1SCC(=O)NC1CC1
InChIInChI=1S/C11H18N4O2S/c1-8-13-14-11(15(8)5-6-17-2)18-7-10(16)12-9-3-4-9/h9H,3-7H2,1-2H3,(H,12,16)
InChIKeyFKCQXKKLHFAOHY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.60
Rot. Bonds7

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

N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 43812616) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID43812616
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(C)nnc1SCC(=O)NC1CC1
InChIInChI=1S/C11H18N4O2S/c1-8-13-14-11(15(8)5-6-17-2)18-7-10(16)12-9-3-4-9/h9H,3-7H2,1-2H3,(H,12,16)
InChIKeyFKCQXKKLHFAOHY-UHFFFAOYSA-N
XLogP0.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 43812616) is N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is COCCn1c(C)nnc1SCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is FKCQXKKLHFAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-13-14-11(15(8)5-6-17-2)18-7-10(16)12-9-3-4-9/h9H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 270.36 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 43812616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).