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

C19H11F3N4O — CID 71579170

IUPAC(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H11F3N4O/c20-19(21,22)14-8-4-7-13(11-14)17(27)15-9-10-16-23-24-18(26(16)25-15)12-5-2-1-3-6-12/h1-11H
InChIKeyNDRMPHDEJBISCP-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.04
Rot. Bonds3

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

(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 71579170) has the molecular formula C19H11F3N4O and a molecular weight of 368.32 g/mol. Its IUPAC name is (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID71579170
Molecular FormulaC19H11F3N4O
Molecular Weight368.32 g/mol
Exact Mass368.09
IUPAC Name(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C19H11F3N4O/c20-19(21,22)14-8-4-7-13(11-14)17(27)15-9-10-16-23-24-18(26(16)25-15)12-5-2-1-3-6-12/h1-11H
InChIKeyNDRMPHDEJBISCP-UHFFFAOYSA-N
XLogP4.04
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Benzoyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine
CID 1100830
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455580
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-3-methylbenzamide
CID 7217794
5-(6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)-2H-isoquinolin-1-one
CID 54764326
5-[[6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-methylisoquinolin-1-one
CID 57391542
5-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57400210
5-[[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57403760
3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 2377208
N-[3,5-Bis(trifluoromethyl)benzyl]-N,5-dimethyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 54582297
N-[3,5-Bis(trifluoromethyl)benzyl]-5-methyl-7-phenyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 54584234
2-Ethyl-5-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]isoquinolin-1-one
CID 57395025

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 71579170) is (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is NDRMPHDEJBISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O/c20-19(21,22)14-8-4-7-13(11-14)17(27)15-9-10-16-23-24-18(26(16)25-15)12-5-2-1-3-6-12/h1-11H.
What are the key properties of (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone?
(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 368.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71579170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).