3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

C19H14N4O2S — CID 136779061

IUPAC3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1
InChIInChI=1S/C19H14N4O2S/c24-18-17(16-7-4-12-26-16)22-23-19(21-18)20-13-8-10-15(11-9-13)25-14-5-2-1-3-6-14/h1-12H,(H2,20,21,23,24)
InChIKeyCOSWWZCPOUCTIR-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.43
Rot. Bonds5

About 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 136779061) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
PubChem CID136779061
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1
InChIInChI=1S/C19H14N4O2S/c24-18-17(16-7-4-12-26-16)22-23-19(21-18)20-13-8-10-15(11-9-13)25-14-5-2-1-3-6-14/h1-12H,(H2,20,21,23,24)
InChIKeyCOSWWZCPOUCTIR-UHFFFAOYSA-N
XLogP4.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 136778844
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
3-(4-aminoanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 135882629
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
2-(4-phenoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779052
4-[(5-isocyano-6-oxo-4-thiophen-2-yl-1H-pyrimidin-2-yl)amino]benzoic acid
CID 162494500
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
CID 135454577
3-(4-bromoanilino)-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779043
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (CID 136779061) is 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is O=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1.
What is the InChIKey of 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is COSWWZCPOUCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-18-17(16-7-4-12-26-16)22-23-19(21-18)20-13-8-10-15(11-9-13)25-14-5-2-1-3-6-14/h1-12H,(H2,20,21,23,24).
What are the key properties of 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 362.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).