2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide

C19H15ClN6O2 — CID 59339177

IUPAC2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1nnc2ccc(Nc3cccc(Cl)c3)nn12
InChIInChI=1S/C19H15ClN6O2/c20-12-4-3-5-13(10-12)22-16-8-9-17-23-24-18(26(17)25-16)11-28-15-7-2-1-6-14(15)19(21)27/h1-10H,11H2,(H2,21,27)(H,22,25)
InChIKeyJNKIJYKCCPGVIJ-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.20
Rot. Bonds6

About 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide

2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide (PubChem CID 59339177) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide
PubChem CID59339177
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1nnc2ccc(Nc3cccc(Cl)c3)nn12
InChIInChI=1S/C19H15ClN6O2/c20-12-4-3-5-13(10-12)22-16-8-9-17-23-24-18(26(17)25-16)11-28-15-7-2-1-6-14(15)19(21)27/h1-10H,11H2,(H2,21,27)(H,22,25)
InChIKeyJNKIJYKCCPGVIJ-UHFFFAOYSA-N
XLogP3.20
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-3-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339046
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
3-amino-6-bromo-N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]pyrazine-2-carboxamide
CID 143648753
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
N-(3-chlorophenyl)-3-(indol-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339296
3-amino-N-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-6-ethylpyrazine-2-carboxamide
CID 143648787
2-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062580
2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59338915
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide?
The IUPAC name of 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide (CID 59339177) is 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide?
The canonical SMILES for 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide is NC(=O)c1ccccc1OCc1nnc2ccc(Nc3cccc(Cl)c3)nn12.
What is the InChIKey of 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide?
The InChIKey is JNKIJYKCCPGVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c20-12-4-3-5-13(10-12)22-16-8-9-17-23-24-18(26(17)25-16)11-28-15-7-2-1-6-14(15)19(21)27/h1-10H,11H2,(H2,21,27)(H,22,25).
What are the key properties of 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide?
2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide has a molecular weight of 394.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]benzamide is sourced from PubChem (CID 59339177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).