N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C13H14N4O3S — CID 135511550

IUPACN-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1
InChIInChI=1S/C13H14N4O3S/c1-2-20-10-5-3-9(4-6-10)15-12(19)8-21-13-16-11(18)7-14-17-13/h3-7H,2,8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyOPLARKHGENFVHA-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.29
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135511550) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135511550
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1
InChIInChI=1S/C13H14N4O3S/c1-2-20-10-5-3-9(4-6-10)15-12(19)8-21-13-16-11(18)7-14-17-13/h3-7H,2,8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyOPLARKHGENFVHA-UHFFFAOYSA-N
XLogP1.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135511550) is N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is CCOc1ccc(NC(=O)CSc2nncc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is OPLARKHGENFVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-20-10-5-3-9(4-6-10)15-12(19)8-21-13-16-11(18)7-14-17-13/h3-7H,2,8H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135511550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).