N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide

C20H16N6O2 — CID 86704156

IUPACN'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide
SMILESO=C(COc1ccnc2ccccc12)NNc1ncc(-c2ccccc2)nn1
InChIInChI=1S/C20H16N6O2/c27-19(13-28-18-10-11-21-16-9-5-4-8-15(16)18)24-26-20-22-12-17(23-25-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)(H,22,25,26)
InChIKeyBUHFTXHSFOTXGX-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.61
Rot. Bonds6

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

N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide (PubChem CID 86704156) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide
PubChem CID86704156
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide
SMILESO=C(COc1ccnc2ccccc12)NNc1ncc(-c2ccccc2)nn1
InChIInChI=1S/C20H16N6O2/c27-19(13-28-18-10-11-21-16-9-5-4-8-15(16)18)24-26-20-22-12-17(23-25-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)(H,22,25,26)
InChIKeyBUHFTXHSFOTXGX-UHFFFAOYSA-N
XLogP2.61
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[(2-Aminoquinolin-4-yl)oxymethyl]triazol-1-yl]ethoxy]quinolin-2-amine
CID 156407642
3-(4-Quinolyloxymethyl)-6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406947
2-[2-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenoxy]-N,N-dimethylacetamide
CID 66711958
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
Difluoro-[[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]amino]-(2-quinolin-6-ylacetyl)azanium
CID 89844228
2,2-difluoro-N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide
CID 89844229
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N'-quinolin-4-yloxyacetohydrazide
CID 89844274
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N'-(7-methoxyquinolin-4-yl)oxyacetohydrazide
CID 89844322
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-N-quinolin-4-yloxyacetohydrazide
CID 89844357
2-(8-fluoroquinolin-4-yl)oxy-N'-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)acetohydrazide
CID 162515635

Frequently Asked Questions

What is the IUPAC name of N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide?
The IUPAC name of N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide (CID 86704156) is N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide.
What is the SMILES notation for N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide?
The canonical SMILES for N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide is O=C(COc1ccnc2ccccc12)NNc1ncc(-c2ccccc2)nn1.
What is the InChIKey of N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide?
The InChIKey is BUHFTXHSFOTXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19(13-28-18-10-11-21-16-9-5-4-8-15(16)18)24-26-20-22-12-17(23-25-20)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)(H,22,25,26).
What are the key properties of N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide?
N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide has a molecular weight of 372.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-phenyl-1,2,4-triazin-3-yl)-2-quinolin-4-yloxyacetohydrazide is sourced from PubChem (CID 86704156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).