N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide

C17H14N4O2S — CID 135402195

IUPACN-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide
SMILESCSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H14N4O2S/c1-24-17-19-16(23)14(20-21-17)12-9-5-6-10-13(12)18-15(22)11-7-3-2-4-8-11/h2-10H,1H3,(H,18,22)(H,19,21,23)
InChIKeyYBTORWXBISWEHX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide

N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide (PubChem CID 135402195) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide
PubChem CID135402195
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide
SMILESCSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H14N4O2S/c1-24-17-19-16(23)14(20-21-17)12-9-5-6-10-13(12)18-15(22)11-7-3-2-4-8-11/h2-10H,1H3,(H,18,22)(H,19,21,23)
InChIKeyYBTORWXBISWEHX-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
N-{2-[3-(allylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135406746
N-{2-[5-hydroxy-3-(methylsulfanyl)-1,2,4-triazin-6-yl]phenyl}butanamide
CID 135427605
6-(2-Aminophenyl)-3-(propylthio)-1,2,4-triazin-5(4H)-one
CID 135449242
N-{2-[3-(ethylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}propanamide
CID 135428287
6-(2-Aminophenyl)-3-[(4-methylbenzyl)thio]-1,2,4-triazin-5-ol
CID 135431162
6-[2-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]phenyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one
CID 135435648
4-({2-[3-(allylsulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]anilino}methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 135435649
N-{2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}acetamide
CID 135467358
6-(2-aminophenyl)-3-(ethylthio)-1,2,4-triazin-5(4H)-one
CID 135470833
6-(2-Aminophenyl)-3-(heptylthio)-1,2,4-triazin-5-ol
CID 135472747
(4Z)-4-[({2-[3-(ethylthio)-5-hydroxy-1,2,4-triazin-6-yl]phenyl}amino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 135517019

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide?
The IUPAC name of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide (CID 135402195) is N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide.
What is the SMILES notation for N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide?
The canonical SMILES for N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide is CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide?
The InChIKey is YBTORWXBISWEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-24-17-19-16(23)14(20-21-17)12-9-5-6-10-13(12)18-15(22)11-7-3-2-4-8-11/h2-10H,1H3,(H,18,22)(H,19,21,23).
What are the key properties of N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide?
N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide has a molecular weight of 338.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 135402195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).