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

C14H10Cl2F3N5 — CID 24587613

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H10Cl2F3N5/c1-23(7-8-3-2-4-9(15)12(8)16)11-6-5-10-20-21-13(14(17,18)19)24(10)22-11/h2-6H,7H2,1H3
InChIKeyLJLIPRIHWIAKPH-UHFFFAOYSA-N
MW376.17 g/mol
LogP4.09
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 24587613) has the molecular formula C14H10Cl2F3N5 and a molecular weight of 376.17 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID24587613
Molecular FormulaC14H10Cl2F3N5
Molecular Weight376.17 g/mol
Exact Mass375.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cccc(Cl)c1Cl)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H10Cl2F3N5/c1-23(7-8-3-2-4-9(15)12(8)16)11-6-5-10-20-21-13(14(17,18)19)24(10)22-11/h2-6H,7H2,1H3
InChIKeyLJLIPRIHWIAKPH-UHFFFAOYSA-N
XLogP4.09
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 24587613) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(Cc1cccc(Cl)c1Cl)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is LJLIPRIHWIAKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N5/c1-23(7-8-3-2-4-9(15)12(8)16)11-6-5-10-20-21-13(14(17,18)19)24(10)22-11/h2-6H,7H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 376.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 24587613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).