N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide

C20H17N5O — CID 5287936

IUPACN-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1
InChIInChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3
InChIKeyALBWBHNFOJJMCV-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.44
Rot. Bonds3

About N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide

N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide (PubChem CID 5287936) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
PubChem CID5287936
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1
InChIInChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3
InChIKeyALBWBHNFOJJMCV-UHFFFAOYSA-N
XLogP3.44
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide (CID 5287936) is N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide is CC(=O)N(C)c1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1.
What is the InChIKey of N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide?
The InChIKey is ALBWBHNFOJJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3.
What are the key properties of N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide?
N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 5287936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).