N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide

C20H16N6O3 — CID 86704161

IUPACN'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESO=C(COc1ccnc2ccccc12)NNc1ncc(-c2cccc(O)c2)nn1
InChIInChI=1S/C20H16N6O3/c27-14-5-3-4-13(10-14)17-11-22-20(25-23-17)26-24-19(28)12-29-18-8-9-21-16-7-2-1-6-15(16)18/h1-11,27H,12H2,(H,24,28)(H,22,25,26)
InChIKeyLUGJKOZJNJJNDN-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.31
Rot. Bonds6

About N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide

N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (PubChem CID 86704161) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
PubChem CID86704161
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESO=C(COc1ccnc2ccccc12)NNc1ncc(-c2cccc(O)c2)nn1
InChIInChI=1S/C20H16N6O3/c27-14-5-3-4-13(10-14)17-11-22-20(25-23-17)26-24-19(28)12-29-18-8-9-21-16-7-2-1-6-15(16)18/h1-11,27H,12H2,(H,24,28)(H,22,25,26)
InChIKeyLUGJKOZJNJJNDN-UHFFFAOYSA-N
XLogP2.31
TPSA122.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(7-Methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 57407326
6-(4-Fluorophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704126
6-(4-Fluorophenyl)-3-[(6,7-dimethoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704148
6-(4-Fluorophenyl)-3-(4-quinolyloxy acetylhydrazino)-1,2,4-triazine
CID 86704155
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N'-(7-methoxyquinolin-4-yl)oxyacetohydrazide
CID 89844322
2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 162515635
2-(6-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 162515645
4-[[6-(3-Methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
CID 57407142
3-(4-Quinolyloxymethyl)-6-(3-hydroxylphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57407143
6-(4-Benzyloxy-phenyl)-3-(6-quinolylacetylhydrazino)-1,2,4-triazine
CID 86704088
6-(4-Chlorophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704127
6-(4-Bromophenyl)-3-[(7-methoxy-4-quinolyl)oxyacetylhydrazino]-1,2,4-triazine
CID 86704128

Frequently Asked Questions

What is the IUPAC name of N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The IUPAC name of N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (CID 86704161) is N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.
What is the SMILES notation for N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The canonical SMILES for N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is O=C(COc1ccnc2ccccc12)NNc1ncc(-c2cccc(O)c2)nn1.
What is the InChIKey of N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The InChIKey is LUGJKOZJNJJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-14-5-3-4-13(10-14)17-11-22-20(25-23-17)26-24-19(28)12-29-18-8-9-21-16-7-2-1-6-15(16)18/h1-11,27H,12H2,(H,24,28)(H,22,25,26).
What are the key properties of N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide has a molecular weight of 388.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(3-hydroxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is sourced from PubChem (CID 86704161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).