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

C18H12BrN5O — CID 7532195

IUPAC2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccccc1Br
InChIInChI=1S/C18H12BrN5O/c19-15-7-2-1-6-14(15)18(25)21-13-5-3-4-12(10-13)16-8-9-17-22-20-11-24(17)23-16/h1-11H,(H,21,25)
InChIKeyYHPRSLAMHHEDGR-UHFFFAOYSA-N
MW394.23 g/mol
LogP3.81
Rot. Bonds3

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

2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7532195) has the molecular formula C18H12BrN5O and a molecular weight of 394.23 g/mol. Its IUPAC name is 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7532195
Molecular FormulaC18H12BrN5O
Molecular Weight394.23 g/mol
Exact Mass393.02
IUPAC Name2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccccc1Br
InChIInChI=1S/C18H12BrN5O/c19-15-7-2-1-6-14(15)18(25)21-13-5-3-4-12(10-13)16-8-9-17-22-20-11-24(17)23-16/h1-11H,(H,21,25)
InChIKeyYHPRSLAMHHEDGR-UHFFFAOYSA-N
XLogP3.81
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121036246
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
6-oxo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036292
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
CID 7532319
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 71778535
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
CID 121036278
2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532161
3-methyl-4-nitro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7532195) is 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is YHPRSLAMHHEDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O/c19-15-7-2-1-6-14(15)18(25)21-13-5-3-4-12(10-13)16-8-9-17-22-20-11-24(17)23-16/h1-11H,(H,21,25).
What are the key properties of 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 394.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7532195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).