N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide

C21H17FN6O3 — CID 86704126

IUPACN'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(F)cc4)nn3)ccnc2c1
InChIInChI=1S/C21H17FN6O3/c1-30-15-6-7-16-17(10-15)23-9-8-19(16)31-12-20(29)26-28-21-24-11-18(25-27-21)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3,(H,26,29)(H,24,27,28)
InChIKeyPZACHVBGAKRCFJ-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.76
Rot. Bonds7

About N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide

N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide (PubChem CID 86704126) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
PubChem CID86704126
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC NameN'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide
SMILESCOc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(F)cc4)nn3)ccnc2c1
InChIInChI=1S/C21H17FN6O3/c1-30-15-6-7-16-17(10-15)23-9-8-19(16)31-12-20(29)26-28-21-24-11-18(25-27-21)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3,(H,26,29)(H,24,27,28)
InChIKeyPZACHVBGAKRCFJ-UHFFFAOYSA-N
XLogP2.76
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10a
CID 24864822
4-((6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
CID 24864823
Triazolopyridazine, 10c
CID 24864824
Triazolopyridazine, 10d
CID 24864825
Triazolopyridazine, 10e
CID 24864993
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406577
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406402
7-Methoxy-4-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
CID 57406757
7-Methoxy-4-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]quinoline
CID 57406759
4-[3-[(7-Methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 136098500
4-[[6-(3,4-Difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 57691044

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The IUPAC name of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide (CID 86704126) is N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide.
What is the SMILES notation for N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The canonical SMILES for N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide is COc1ccc2c(OCC(=O)NNc3ncc(-c4ccc(F)cc4)nn3)ccnc2c1.
What is the InChIKey of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
The InChIKey is PZACHVBGAKRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c1-30-15-6-7-16-17(10-15)23-9-8-19(16)31-12-20(29)26-28-21-24-11-18(25-27-21)13-2-4-14(22)5-3-13/h2-11H,12H2,1H3,(H,26,29)(H,24,27,28).
What are the key properties of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide?
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide has a molecular weight of 420.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-(7-methoxyquinolin-4-yl)oxyacetohydrazide is sourced from PubChem (CID 86704126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).