2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide

C21H19N5O2 — CID 91893525

IUPAC2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nnc2ccc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)17-11-12-19-23-24-20(26(19)25-17)13-22-21(27)16-5-3-4-6-18(16)28-2/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyVHFUVVXBLVXMFY-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.04
Rot. Bonds5

About 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide

2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide (PubChem CID 91893525) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
PubChem CID91893525
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nnc2ccc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)17-11-12-19-23-24-20(26(19)25-17)13-22-21(27)16-5-3-4-6-18(16)28-2/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyVHFUVVXBLVXMFY-UHFFFAOYSA-N
XLogP3.04
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenoxyacetamide
CID 91893499
5-methyl-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]thiophene-2-carboxamide
CID 91893488
N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-fluoro-4-methoxybenzamide
CID 91893436
(2S)-N-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenylpropanamide
CID 99757799
(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
CID 99757783
2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893287
N-[[4-ethyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
CID 5024552
3-methoxy-N-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 91819010
4-cyano-N-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide
CID 91909389
N-[(2-methoxyphenyl)methyl]-2-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7531235
N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
CID 91893399
N-[[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide (CID 91893525) is 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide is COc1ccccc1C(=O)NCc1nnc2ccc(-c3ccc(C)cc3)nn12.
What is the InChIKey of 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide?
The InChIKey is VHFUVVXBLVXMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)17-11-12-19-23-24-20(26(19)25-17)13-22-21(27)16-5-3-4-6-18(16)28-2/h3-12H,13H2,1-2H3,(H,22,27).
What are the key properties of 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide?
2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).