N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

C15H17ClN4OS — CID 6401479

IUPACN-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccccc2Cl)nc1CC
InChIInChI=1S/C15H17ClN4OS/c1-3-11-12(4-2)19-20-15(18-11)22-9-14(21)17-13-8-6-5-7-10(13)16/h5-8H,3-4,9H2,1-2H3,(H,17,21)
InChIKeyBWTOEZWURLKNQL-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.38
Rot. Bonds6

About N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 6401479) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID6401479
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC NameN-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccccc2Cl)nc1CC
InChIInChI=1S/C15H17ClN4OS/c1-3-11-12(4-2)19-20-15(18-11)22-9-14(21)17-13-8-6-5-7-10(13)16/h5-8H,3-4,9H2,1-2H3,(H,17,21)
InChIKeyBWTOEZWURLKNQL-UHFFFAOYSA-N
XLogP3.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 6401479) is N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is CCc1nnc(SCC(=O)Nc2ccccc2Cl)nc1CC.
What is the InChIKey of N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is BWTOEZWURLKNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-3-11-12(4-2)19-20-15(18-11)22-9-14(21)17-13-8-6-5-7-10(13)16/h5-8H,3-4,9H2,1-2H3,(H,17,21).
What are the key properties of N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 336.85 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6401479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).