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

C27H22N6O2 — CID 86704088

IUPACN'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide
SMILESO=C(Cc1ccc2ncccc2c1)NNc1ncc(-c2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C27H22N6O2/c34-26(16-20-8-13-24-22(15-20)7-4-14-28-24)31-33-27-29-17-25(30-32-27)21-9-11-23(12-10-21)35-18-19-5-2-1-3-6-19/h1-15,17H,16,18H2,(H,31,34)(H,29,32,33)
InChIKeyHUOFIOZIKKZRSV-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.35
Rot. Bonds8

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

N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide (PubChem CID 86704088) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 g/mol. Its IUPAC name is N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide.

Molecular Properties

Compound NameN'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide
PubChem CID86704088
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC NameN'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide
SMILESO=C(Cc1ccc2ncccc2c1)NNc1ncc(-c2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C27H22N6O2/c34-26(16-20-8-13-24-22(15-20)7-4-14-28-24)31-33-27-29-17-25(30-32-27)21-9-11-23(12-10-21)35-18-19-5-2-1-3-6-19/h1-15,17H,16,18H2,(H,31,34)(H,29,32,33)
InChIKeyHUOFIOZIKKZRSV-UHFFFAOYSA-N
XLogP4.35
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide?
The IUPAC name of N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide (CID 86704088) is N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide.
What is the SMILES notation for N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide?
The canonical SMILES for N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide is O=C(Cc1ccc2ncccc2c1)NNc1ncc(-c2ccc(OCc3ccccc3)cc2)nn1.
What is the InChIKey of N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide?
The InChIKey is HUOFIOZIKKZRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c34-26(16-20-8-13-24-22(15-20)7-4-14-28-24)31-33-27-29-17-25(30-32-27)21-9-11-23(12-10-21)35-18-19-5-2-1-3-6-19/h1-15,17H,16,18H2,(H,31,34)(H,29,32,33).
What are the key properties of N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide?
N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide has a molecular weight of 462.51 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-yl]-2-quinolin-6-ylacetohydrazide is sourced from PubChem (CID 86704088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).