5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one

C16H14Cl2N6O — CID 133286083

IUPAC5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one
SMILESO=C1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CN1
InChIInChI=1S/C16H14Cl2N6O/c17-10-5-9(6-11(18)7-10)16-22-21-14-3-2-13(23-24(14)16)20-12-1-4-15(25)19-8-12/h2-3,5-7,12H,1,4,8H2,(H,19,25)(H,20,23)
InChIKeyGAVQXUAORKIZGK-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.79
Rot. Bonds3

About 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one

5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one (PubChem CID 133286083) has the molecular formula C16H14Cl2N6O and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one
PubChem CID133286083
Molecular FormulaC16H14Cl2N6O
Molecular Weight377.24 g/mol
Exact Mass376.06
IUPAC Name5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one
SMILESO=C1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CN1
InChIInChI=1S/C16H14Cl2N6O/c17-10-5-9(6-11(18)7-10)16-22-21-14-3-2-13(23-24(14)16)20-12-1-4-15(25)19-8-12/h2-3,5-7,12H,1,4,8H2,(H,19,25)(H,20,23)
InChIKeyGAVQXUAORKIZGK-UHFFFAOYSA-N
XLogP2.79
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one with MolForge

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Related Compounds

1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
CID 133357435
2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
CID 133367595
N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133453499
5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
CID 80946515
3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97255572
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 103952551
5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one
CID 80957649
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
tert-butyl N-[1-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate
CID 133293196
5-(2-amino-3-chloroanilino)piperidin-2-one
CID 104834553
3-[(6-oxopiperidin-3-yl)amino]-2H-isoquinolin-1-one
CID 55233474
methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66457122

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one (CID 133286083) is 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one is O=C1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CN1.
What is the InChIKey of 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one?
The InChIKey is GAVQXUAORKIZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O/c17-10-5-9(6-11(18)7-10)16-22-21-14-3-2-13(23-24(14)16)20-12-1-4-15(25)19-8-12/h2-3,5-7,12H,1,4,8H2,(H,19,25)(H,20,23).
What are the key properties of 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one?
5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one has a molecular weight of 377.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one is sourced from PubChem (CID 133286083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).