N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide

C20H17N5O2 — CID 50831321

IUPACN-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nnc3ccc(-c4ccccc4)nn23)c1
InChIInChI=1S/C20H17N5O2/c1-27-16-9-5-6-14(12-16)13-21-20(26)19-23-22-18-11-10-17(24-25(18)19)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,26)
InChIKeySOSDYZMFRLIOHZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.73
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (PubChem CID 50831321) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
PubChem CID50831321
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nnc3ccc(-c4ccccc4)nn23)c1
InChIInChI=1S/C20H17N5O2/c1-27-16-9-5-6-14(12-16)13-21-20(26)19-23-22-18-11-10-17(24-25(18)19)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,26)
InChIKeySOSDYZMFRLIOHZ-UHFFFAOYSA-N
XLogP2.73
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 40982207
3-benzylsulfanyl-6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531675
N-[(3-methoxyphenyl)methyl]-1-methyl-4-oxoquinazoline-2-carboxamide
CID 59652368
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 50927047
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820
2-(3-chlorophenyl)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 91893423
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
CID 99757783
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide (CID 50831321) is N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is COc1cccc(CNC(=O)c2nnc3ccc(-c4ccccc4)nn23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
The InChIKey is SOSDYZMFRLIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-16-9-5-6-14(12-16)13-21-20(26)19-23-22-18-11-10-17(24-25(18)19)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,26).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide is sourced from PubChem (CID 50831321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).