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

C18H12FN5O — CID 7532185

IUPAC4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O/c19-14-6-4-12(5-7-14)18(25)21-15-3-1-2-13(10-15)16-8-9-17-22-20-11-24(17)23-16/h1-11H,(H,21,25)
InChIKeyDNOAQAHLROUOFG-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.18
Rot. Bonds3

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

4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7532185) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7532185
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN5O/c19-14-6-4-12(5-7-14)18(25)21-15-3-1-2-13(10-15)16-8-9-17-22-20-11-24(17)23-16/h1-11H,(H,21,25)
InChIKeyDNOAQAHLROUOFG-UHFFFAOYSA-N
XLogP3.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121036246
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
6-oxo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036292
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
4-fluoro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532465
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
3-methyl-4-nitro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532180
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
CID 121036278
3-(2,5-dimethoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 121036272
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 71778535

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7532185) is 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is DNOAQAHLROUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-14-6-4-12(5-7-14)18(25)21-15-3-1-2-13(10-15)16-8-9-17-22-20-11-24(17)23-16/h1-11H,(H,21,25).
What are the key properties of 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 333.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7532185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).