4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide

C26H22N8O2 — CID 24830137

IUPAC4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide
SMILESCOc1ccc(C2(c3nnc4ncc(-c5ccc(C(=O)NNc6ccccn6)cc5)nn34)CC2)cc1
InChIInChI=1S/C26H22N8O2/c1-36-20-11-9-19(10-12-20)26(13-14-26)24-31-32-25-28-16-21(33-34(24)25)17-5-7-18(8-6-17)23(35)30-29-22-4-2-3-15-27-22/h2-12,15-16H,13-14H2,1H3,(H,27,29)(H,30,35)
InChIKeyBQARQYZDUQNZHV-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.43
Rot. Bonds7

About 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide

4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide (PubChem CID 24830137) has the molecular formula C26H22N8O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound Name4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide
PubChem CID24830137
Molecular FormulaC26H22N8O2
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC Name4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide
SMILESCOc1ccc(C2(c3nnc4ncc(-c5ccc(C(=O)NNc6ccccn6)cc5)nn34)CC2)cc1
InChIInChI=1S/C26H22N8O2/c1-36-20-11-9-19(10-12-20)26(13-14-26)24-31-32-25-28-16-21(33-34(24)25)17-5-7-18(8-6-17)23(35)30-29-22-4-2-3-15-27-22/h2-12,15-16H,13-14H2,1H3,(H,27,29)(H,30,35)
InChIKeyBQARQYZDUQNZHV-UHFFFAOYSA-N
XLogP3.43
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 135849828
1-[4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]ethenol
CID 89294199
ethyl 1-[[4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]cyclopropane-1-carboxylate
CID 24829968
6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830775
ethyl 4-[[4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]piperidine-1-carboxylate
CID 24829966
6-(2,4-difluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24831094
7-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24830930
(2R)-N,N-dimethyl-2-[4-[4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyrazol-1-yl]propanamide
CID 59216282
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
CID 6410483
N-[4-(ethoxymethyl)oxan-4-yl]-4-[7-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 70942199
5-(4-methoxyphenyl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624294

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide?
The IUPAC name of 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide (CID 24830137) is 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide?
The canonical SMILES for 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide is COc1ccc(C2(c3nnc4ncc(-c5ccc(C(=O)NNc6ccccn6)cc5)nn34)CC2)cc1.
What is the InChIKey of 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide?
The InChIKey is BQARQYZDUQNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2/c1-36-20-11-9-19(10-12-20)26(13-14-26)24-31-32-25-28-16-21(33-34(24)25)17-5-7-18(8-6-17)23(35)30-29-22-4-2-3-15-27-22/h2-12,15-16H,13-14H2,1H3,(H,27,29)(H,30,35).
What are the key properties of 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide?
4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide has a molecular weight of 478.52 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]-N'-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 24830137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).