N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H15ClF3N5 — CID 133367727

IUPACN-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(NC(C)c2ccccc2Cl)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H15ClF3N5/c1-8-9(2)14-22-23-15(16(18,19)20)25(14)24-13(8)21-10(3)11-6-4-5-7-12(11)17/h4-7,10H,1-3H3,(H,21,24)
InChIKeyBBGCKAJUIMAROM-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.59
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133367727) has the molecular formula C16H15ClF3N5 and a molecular weight of 369.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133367727
Molecular FormulaC16H15ClF3N5
Molecular Weight369.78 g/mol
Exact Mass369.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(NC(C)c2ccccc2Cl)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H15ClF3N5/c1-8-9(2)14-22-23-15(16(18,19)20)25(14)24-13(8)21-10(3)11-6-4-5-7-12(11)17/h4-7,10H,1-3H3,(H,21,24)
InChIKeyBBGCKAJUIMAROM-UHFFFAOYSA-N
XLogP4.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

4-chloro-N-[1-(2-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142132
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
N-[2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]benzamide
CID 133367897
N-[1-(4-chloronaphthalen-1-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133473905
methyl (2R)-3-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropanoate
CID 97157892
N-[(4-fluoro-3-methylphenyl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367838
3-[1-(2-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62711194
(1R)-1-(2-chlorophenyl)-N,N-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 35916554
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562389
N-(1,2-dimethylbenzimidazol-5-yl)-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428183
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428510

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133367727) is N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1c(NC(C)c2ccccc2Cl)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BBGCKAJUIMAROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N5/c1-8-9(2)14-22-23-15(16(18,19)20)25(14)24-13(8)21-10(3)11-6-4-5-7-12(11)17/h4-7,10H,1-3H3,(H,21,24).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 369.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133367727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).