N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H11ClF3N5 — CID 51300894

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cccc(Cl)c1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H11ClF3N5/c1-22(8-9-3-2-4-10(15)7-9)12-6-5-11-19-20-13(14(16,17)18)23(11)21-12/h2-7H,8H2,1H3
InChIKeyKJWPBHFWBAGJNR-UHFFFAOYSA-N
MW341.72 g/mol
LogP3.43
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 51300894) has the molecular formula C14H11ClF3N5 and a molecular weight of 341.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID51300894
Molecular FormulaC14H11ClF3N5
Molecular Weight341.72 g/mol
Exact Mass341.07
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cccc(Cl)c1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H11ClF3N5/c1-22(8-9-3-2-4-10(15)7-9)12-6-5-11-19-20-13(14(16,17)18)23(11)21-12/h2-7H,8H2,1H3
InChIKeyKJWPBHFWBAGJNR-UHFFFAOYSA-N
XLogP3.43
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133417104
N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24587613
3-tert-butyl-N-[(3,4-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489313
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17417962
3-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488780
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 1252245
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
N-(1-benzofuran-2-ylmethyl)-3-tert-butyl-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492279
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 51300894) is N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(Cc1cccc(Cl)c1)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KJWPBHFWBAGJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N5/c1-22(8-9-3-2-4-10(15)7-9)12-6-5-11-19-20-13(14(16,17)18)23(11)21-12/h2-7H,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 341.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 51300894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).