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

C20H15Cl2N5O2 — CID 16872792

IUPAC2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C20H15Cl2N5O2/c1-12(29-18-8-4-14(21)10-16(18)22)20(28)24-15-5-2-13(3-6-15)17-7-9-19-25-23-11-27(19)26-17/h2-12H,1H3,(H,24,28)
InChIKeySETJFXZBVNAVLX-UHFFFAOYSA-N
MW428.28 g/mol
LogP4.50
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 16872792) has the molecular formula C20H15Cl2N5O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
PubChem CID16872792
Molecular FormulaC20H15Cl2N5O2
Molecular Weight428.28 g/mol
Exact Mass427.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C20H15Cl2N5O2/c1-12(29-18-8-4-14(21)10-16(18)22)20(28)24-15-5-2-13(3-6-15)17-7-9-19-25-23-11-27(19)26-17/h2-12H,1H3,(H,24,28)
InChIKeySETJFXZBVNAVLX-UHFFFAOYSA-N
XLogP4.50
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 121036197
2-(2,4-dichlorophenoxy)-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873108
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
2-chloro-4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoic acid
CID 28677019

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 16872792) is 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc3nncn3n2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The InChIKey is SETJFXZBVNAVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O2/c1-12(29-18-8-4-14(21)10-16(18)22)20(28)24-15-5-2-13(3-6-15)17-7-9-19-25-23-11-27(19)26-17/h2-12H,1H3,(H,24,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 428.28 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 16872792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).