N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide

C15H13N5O2S — CID 136778844

IUPACN-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nnc(-c3cccs3)c(=O)[nH]2)cc1
InChIInChI=1S/C15H13N5O2S/c1-9(21)16-10-4-6-11(7-5-10)17-15-18-14(22)13(19-20-15)12-3-2-8-23-12/h2-8H,1H3,(H,16,21)(H2,17,18,20,22)
InChIKeyAGZIAZJOBCRPJR-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.60
Rot. Bonds4

About N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide

N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide (PubChem CID 136778844) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
PubChem CID136778844
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nnc(-c3cccs3)c(=O)[nH]2)cc1
InChIInChI=1S/C15H13N5O2S/c1-9(21)16-10-4-6-11(7-5-10)17-15-18-14(22)13(19-20-15)12-3-2-8-23-12/h2-8H,1H3,(H,16,21)(H2,17,18,20,22)
InChIKeyAGZIAZJOBCRPJR-UHFFFAOYSA-N
XLogP2.60
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide with MolForge

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Related Compounds

3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779061
3-[4-(ethylsulfanylmethyl)anilino]-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136683742
3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 135843306
3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779508
4-[(5-isocyano-6-oxo-4-thiophen-2-yl-1H-pyrimidin-2-yl)amino]benzoic acid
CID 162494500
N-[4-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 135561138
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 135713561
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
N-[4-[3-(4-fluoroanilino)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]phenyl]acetamide
CID 110591939
(2R)-N-(4-acetamidophenyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 40933652
3-(4-ethylanilino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778682
N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-2-oxo-2-thiophen-2-ylacetamide
CID 142008235

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide (CID 136778844) is N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nnc(-c3cccs3)c(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
The InChIKey is AGZIAZJOBCRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-9(21)16-10-4-6-11(7-5-10)17-15-18-14(22)13(19-20-15)12-3-2-8-23-12/h2-8H,1H3,(H,16,21)(H2,17,18,20,22).
What are the key properties of N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide has a molecular weight of 327.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 136778844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).