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

C19H14BrN5O2 — CID 42570294

IUPACN-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1
InChIInChI=1S/C19H14BrN5O2/c1-12(26)21-15-3-2-4-16(11-15)27-18-10-9-17-22-23-19(25(17)24-18)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,21,26)
InChIKeyVFDJRRPZBQGIEN-UHFFFAOYSA-N
MW424.26 g/mol
LogP4.30
Rot. Bonds4

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

N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide (PubChem CID 42570294) has the molecular formula C19H14BrN5O2 and a molecular weight of 424.26 g/mol. Its IUPAC name is N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
PubChem CID42570294
Molecular FormulaC19H14BrN5O2
Molecular Weight424.26 g/mol
Exact Mass423.03
IUPAC NameN-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1
InChIInChI=1S/C19H14BrN5O2/c1-12(26)21-15-3-2-4-16(11-15)27-18-10-9-17-22-23-19(25(17)24-18)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,21,26)
InChIKeyVFDJRRPZBQGIEN-UHFFFAOYSA-N
XLogP4.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
CID 42582682
4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol
CID 42534798
N-(3-acetamidophenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 18554130
4-bromo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873318
3-phenyl-6-[3-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727439
[3-(4-bromophenoxy)phenyl]carbamic acid
CID 138629295
4-acetamido-N-[2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 121058105
2-(3-ethoxyphenoxy)-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059420
6-[4-(4-bromophenyl)phenoxy]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133425260
N-[3-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxyphenyl]acetamide
CID 8852798
N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121057923
3-(4-bromophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 1336331

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide (CID 42570294) is N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1.
What is the InChIKey of N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
The InChIKey is VFDJRRPZBQGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O2/c1-12(26)21-15-3-2-4-16(11-15)27-18-10-9-17-22-23-19(25(17)24-18)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,21,26).
What are the key properties of N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide has a molecular weight of 424.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 42570294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).