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

C19H14ClN5O2 — CID 42582682

IUPACN-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1
InChIInChI=1S/C19H14ClN5O2/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)
InChIKeyODJGSTOXYUVMNG-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.20
Rot. Bonds4

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

N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide (PubChem CID 42582682) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
PubChem CID42582682
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1
InChIInChI=1S/C19H14ClN5O2/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)
InChIKeyODJGSTOXYUVMNG-UHFFFAOYSA-N
XLogP4.20
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide
CID 42570294
N-[3-[4-(4-chlorophenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885356
N-(3-acetamidophenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 18554130
N-(3-chlorophenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 16815118
3-phenyl-6-[3-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727439
1-(4-chlorophenyl)-3-[2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]urea
CID 42109961
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 43935472
4-acetamido-N-[2-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 121058105
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
2-(3-ethoxyphenoxy)-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059420
4-[[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenol
CID 42534798
N-[3-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxyphenyl]acetamide
CID 8852798

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide (CID 42582682) is N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1.
What is the InChIKey of N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
The InChIKey is ODJGSTOXYUVMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/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-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide?
N-[3-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide has a molecular weight of 379.81 g/mol, XLogP of 4.20, 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-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 42582682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).