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

C11H14N4O2S — CID 78208570

IUPACN-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESC=C1N=NC(SCC(=O)NC2CCCC2)=NC1=O
InChIInChI=1S/C11H14N4O2S/c1-7-10(17)13-11(15-14-7)18-6-9(16)12-8-4-2-3-5-8/h8H,1-6H2,(H,12,16)
InChIKeyDUIZLTHGSVNIFR-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.64
Rot. Bonds3

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

N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 78208570) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID78208570
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESC=C1N=NC(SCC(=O)NC2CCCC2)=NC1=O
InChIInChI=1S/C11H14N4O2S/c1-7-10(17)13-11(15-14-7)18-6-9(16)12-8-4-2-3-5-8/h8H,1-6H2,(H,12,16)
InChIKeyDUIZLTHGSVNIFR-UHFFFAOYSA-N
XLogP1.64
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 78208570) is N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide is C=C1N=NC(SCC(=O)NC2CCCC2)=NC1=O.
What is the InChIKey of N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is DUIZLTHGSVNIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-10(17)13-11(15-14-7)18-6-9(16)12-8-4-2-3-5-8/h8H,1-6H2,(H,12,16).
What are the key properties of N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 266.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 78208570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).