N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C15H12F3N5O — CID 134791179

IUPACN,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)c2nncn2n1
InChIInChI=1S/C15H12F3N5O/c1-22(2)14(24)12-7-11(13-20-19-8-23(13)21-12)9-4-3-5-10(6-9)15(16,17)18/h3-8H,1-2H3
InChIKeyDVSIZFAJNJSUHA-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.51
Rot. Bonds2

About N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134791179) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134791179
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)c2nncn2n1
InChIInChI=1S/C15H12F3N5O/c1-22(2)14(24)12-7-11(13-20-19-8-23(13)21-12)9-4-3-5-10(6-9)15(16,17)18/h3-8H,1-2H3
InChIKeyDVSIZFAJNJSUHA-UHFFFAOYSA-N
XLogP2.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134791179) is N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is CN(C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)c2nncn2n1.
What is the InChIKey of N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is DVSIZFAJNJSUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-22(2)14(24)12-7-11(13-20-19-8-23(13)21-12)9-4-3-5-10(6-9)15(16,17)18/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).