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

C20H16ClN5O2 — CID 121036197

IUPAC2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C20H16ClN5O2/c1-13(28-18-8-3-2-7-16(18)21)20(27)23-15-6-4-5-14(11-15)17-9-10-19-24-22-12-26(19)25-17/h2-13H,1H3,(H,23,27)
InChIKeyOPMMKBSXRLVGHA-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.85
Rot. Bonds5

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

2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 121036197) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
PubChem CID121036197
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C20H16ClN5O2/c1-13(28-18-8-3-2-7-16(18)21)20(27)23-15-6-4-5-14(11-15)17-9-10-19-24-22-12-26(19)25-17/h2-13H,1H3,(H,23,27)
InChIKeyOPMMKBSXRLVGHA-UHFFFAOYSA-N
XLogP3.85
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16872792
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532161
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 71778535
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 121036197) is 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
The InChIKey is OPMMKBSXRLVGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-13(28-18-8-3-2-7-16(18)21)20(27)23-15-6-4-5-14(11-15)17-9-10-19-24-22-12-26(19)25-17/h2-13H,1H3,(H,23,27).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 393.83 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 121036197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).