2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide

C18H13Cl2N7O — CID 133367595

IUPAC2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)Nc1ccccn1
InChIInChI=1S/C18H13Cl2N7O/c19-12-7-11(8-13(20)9-12)18-25-24-16-5-4-15(26-27(16)18)22-10-17(28)23-14-3-1-2-6-21-14/h1-9H,10H2,(H,22,26)(H,21,23,28)
InChIKeyXTJJQCQNQNDBHZ-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.54
Rot. Bonds5

About 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide

2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide (PubChem CID 133367595) has the molecular formula C18H13Cl2N7O and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
PubChem CID133367595
Molecular FormulaC18H13Cl2N7O
Molecular Weight414.26 g/mol
Exact Mass413.06
IUPAC Name2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)Nc1ccccn1
InChIInChI=1S/C18H13Cl2N7O/c19-12-7-11(8-13(20)9-12)18-25-24-16-5-4-15(26-27(16)18)22-10-17(28)23-14-3-1-2-6-21-14/h1-9H,10H2,(H,22,26)(H,21,23,28)
InChIKeyXTJJQCQNQNDBHZ-UHFFFAOYSA-N
XLogP3.54
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335614
3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312174
3-(3,5-dichlorophenyl)-N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97255572
5-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-2-one
CID 133286083
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 5031722
1-cyclopropyl-4-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-2-one
CID 133357435
3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134806645
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide
CID 95851482
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
CID 7446930
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetic acid
CID 4736985

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide (CID 133367595) is 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide is O=C(CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1)Nc1ccccn1.
What is the InChIKey of 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide?
The InChIKey is XTJJQCQNQNDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N7O/c19-12-7-11(8-13(20)9-12)18-25-24-16-5-4-15(26-27(16)18)22-10-17(28)23-14-3-1-2-6-21-14/h1-9H,10H2,(H,22,26)(H,21,23,28).
What are the key properties of 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide?
2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide has a molecular weight of 414.26 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 133367595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).