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

C14H22N4OS — CID 6401474

IUPACN-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC2CCCC2)nc1CC
InChIInChI=1S/C14H22N4OS/c1-3-11-12(4-2)17-18-14(16-11)20-9-13(19)15-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyWUFFWQCZXJATAT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.15
Rot. Bonds6

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

N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 6401474) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID6401474
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCc1nnc(SCC(=O)NC2CCCC2)nc1CC
InChIInChI=1S/C14H22N4OS/c1-3-11-12(4-2)17-18-14(16-11)20-9-13(19)15-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyWUFFWQCZXJATAT-UHFFFAOYSA-N
XLogP2.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 6401474) is N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is CCc1nnc(SCC(=O)NC2CCCC2)nc1CC.
What is the InChIKey of N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is WUFFWQCZXJATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-11-12(4-2)17-18-14(16-11)20-9-13(19)15-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,15,19).
What are the key properties of N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6401474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).