N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H13ClN6O — CID 59339046

IUPACN-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1cccc(Nc2ccc3nnc(COc4ccccn4)n3n2)c1
InChIInChI=1S/C17H13ClN6O/c18-12-4-3-5-13(10-12)20-14-7-8-15-21-22-16(24(15)23-14)11-25-17-6-1-2-9-19-17/h1-10H,11H2,(H,20,23)
InChIKeyBTXQFFWIQLOEIA-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.50
Rot. Bonds5

About N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 59339046) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID59339046
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC NameN-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1cccc(Nc2ccc3nnc(COc4ccccn4)n3n2)c1
InChIInChI=1S/C17H13ClN6O/c18-12-4-3-5-13(10-12)20-14-7-8-15-21-22-16(24(15)23-14)11-25-17-6-1-2-9-19-17/h1-10H,11H2,(H,20,23)
InChIKeyBTXQFFWIQLOEIA-UHFFFAOYSA-N
XLogP3.50
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide
CID 59339177
N-(3-chlorophenyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339297
N-(3-chlorophenyl)-3-[(4-prop-2-enylphenoxy)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 143479660
N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59338915
N-(3-chlorophenyl)-3-(indol-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339296
N-(3-chlorophenyl)-3-[(3,4-dimethoxyanilino)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339061
N-(3-chlorophenyl)-3-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339250
3-amino-6-bromo-N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]pyrazine-2-carboxamide
CID 143648753
3-amino-N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-6-ethylpyrazine-2-carboxamide
CID 143648787
3-amino-N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-6-pyridin-3-ylpyrazine-2-carboxamide
CID 143648778
4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339225
N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339213

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 59339046) is N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Clc1cccc(Nc2ccc3nnc(COc4ccccn4)n3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BTXQFFWIQLOEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c18-12-4-3-5-13(10-12)20-14-7-8-15-21-22-16(24(15)23-14)11-25-17-6-1-2-9-19-17/h1-10H,11H2,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 352.79 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 59339046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).