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

C19H12F3N5O — CID 121036246

IUPACN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)14-6-4-12(5-7-14)18(28)24-15-3-1-2-13(10-15)16-8-9-17-25-23-11-27(17)26-16/h1-11H,(H,24,28)
InChIKeyAIQIEVRRBBNCNQ-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.06
Rot. Bonds3

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

N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 121036246) has the molecular formula C19H12F3N5O and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID121036246
Molecular FormulaC19H12F3N5O
Molecular Weight383.33 g/mol
Exact Mass383.10
IUPAC NameN-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12F3N5O/c20-19(21,22)14-6-4-12(5-7-14)18(28)24-15-3-1-2-13(10-15)16-8-9-17-25-23-11-27(17)26-16/h1-11H,(H,24,28)
InChIKeyAIQIEVRRBBNCNQ-UHFFFAOYSA-N
XLogP4.06
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
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
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
6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726832
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 16821306
4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
CID 121036278
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 N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 121036246) is N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AIQIEVRRBBNCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O/c20-19(21,22)14-6-4-12(5-7-14)18(28)24-15-3-1-2-13(10-15)16-8-9-17-25-23-11-27(17)26-16/h1-11H,(H,24,28).
What are the key properties of N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 383.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121036246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).