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

C12H22N4OS — CID 1451232

IUPACN,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)N(CC)CC)n1C
InChIInChI=1S/C12H22N4OS/c1-5-8-10-13-14-12(15(10)4)18-9-11(17)16(6-2)7-3/h5-9H2,1-4H3
InChIKeyZCOJTOSSLOQXBM-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.73
Rot. Bonds7

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

N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1451232) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1451232
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(=O)N(CC)CC)n1C
InChIInChI=1S/C12H22N4OS/c1-5-8-10-13-14-12(15(10)4)18-9-11(17)16(6-2)7-3/h5-9H2,1-4H3
InChIKeyZCOJTOSSLOQXBM-UHFFFAOYSA-N
XLogP1.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1451232) is N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nnc(SCC(=O)N(CC)CC)n1C.
What is the InChIKey of N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZCOJTOSSLOQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-8-10-13-14-12(15(10)4)18-9-11(17)16(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 270.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1451232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).