5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

C19H14ClN5O2 — CID 7217786

IUPAC5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
InChIKeyUGICRKWJFNHPOX-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.71
Rot. Bonds4

About 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide

5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217786) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217786
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
InChIKeyUGICRKWJFNHPOX-UHFFFAOYSA-N
XLogP3.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 2569698
2-(4-chlorophenoxy)-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)acetamide
CID 7217777
2,3-dimethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7217780
N-[(3-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008480
2-methoxy-N-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155542760
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-4-methoxybenzamide
CID 7217772
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 16008412
US10399989, Example 51
CID 126717928
US10399989, Example 49
CID 126717934
5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
CID 165415121
2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7217778
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-4-ethoxybenzamide
CID 7217798

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217786) is 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is UGICRKWJFNHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26).
What are the key properties of 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 379.81 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).