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

C11H10N4O3S — CID 135552212

IUPACN-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncc(=O)[nH]1)Nc1ccccc1O
InChIInChI=1S/C11H10N4O3S/c16-8-4-2-1-3-7(8)13-10(18)6-19-11-14-9(17)5-12-15-11/h1-5,16H,6H2,(H,13,18)(H,14,15,17)
InChIKeyUWUGFEXAYLELDD-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.60
Rot. Bonds4

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

N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135552212) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135552212
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC NameN-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncc(=O)[nH]1)Nc1ccccc1O
InChIInChI=1S/C11H10N4O3S/c16-8-4-2-1-3-7(8)13-10(18)6-19-11-14-9(17)5-12-15-11/h1-5,16H,6H2,(H,13,18)(H,14,15,17)
InChIKeyUWUGFEXAYLELDD-UHFFFAOYSA-N
XLogP0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide
CID 135996863
N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425366
N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135445462
N-(4-acetylphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425382
N-(3-methylbutyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135634815
2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 135784426
N-[(4-chlorophenyl)methyl]-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135888164
ethyl 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 135963813
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 135990099
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1286703

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135552212) is N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is O=C(CSc1nncc(=O)[nH]1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is UWUGFEXAYLELDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c16-8-4-2-1-3-7(8)13-10(18)6-19-11-14-9(17)5-12-15-11/h1-5,16H,6H2,(H,13,18)(H,14,15,17).
What are the key properties of N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 278.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135552212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).