3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide

C13H14N4O4S — CID 134064600

IUPAC3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O4S/c1-21-9-5-3-2-4-8(9)14-10(18)6-7-22-12-11(19)15-13(20)17-16-12/h2-5H,6-7H2,1H3,(H,14,18)(H2,15,17,19,20)
InChIKeyHHVXIIAJFOKTSW-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.59
Rot. Bonds6

About 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide

3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 134064600) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
PubChem CID134064600
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N4O4S/c1-21-9-5-3-2-4-8(9)14-10(18)6-7-22-12-11(19)15-13(20)17-16-12/h2-5H,6-7H2,1H3,(H,14,18)(H2,15,17,19,20)
InChIKeyHHVXIIAJFOKTSW-UHFFFAOYSA-N
XLogP0.59
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43300904
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
ethyl 2-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 2063087
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 23917283
3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43299506
3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
3-(2-amino-2-methylpropyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 66223813
2-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-2-methylpropanoic acid
CID 81228987
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
(2R)-2-amino-3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 61142080

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide (CID 134064600) is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is HHVXIIAJFOKTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c1-21-9-5-3-2-4-8(9)14-10(18)6-7-22-12-11(19)15-13(20)17-16-12/h2-5H,6-7H2,1H3,(H,14,18)(H2,15,17,19,20).
What are the key properties of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide?
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 322.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 134064600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).