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

C11H18N4OS — CID 6466218

IUPACN-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC2CC2)n1CC
InChIInChI=1S/C11H18N4OS/c1-3-9-13-14-11(15(9)4-2)17-7-10(16)12-8-5-6-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyMGFBUMWMXWMWBU-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.23
Rot. Bonds6

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

N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6466218) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6466218
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC2CC2)n1CC
InChIInChI=1S/C11H18N4OS/c1-3-9-13-14-11(15(9)4-2)17-7-10(16)12-8-5-6-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyMGFBUMWMXWMWBU-UHFFFAOYSA-N
XLogP1.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6466218) is N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1nnc(SCC(=O)NC2CC2)n1CC.
What is the InChIKey of N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MGFBUMWMXWMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-9-13-14-11(15(9)4-2)17-7-10(16)12-8-5-6-8/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 254.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6466218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).