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

C16H16F3N5 — CID 176501471

IUPAC6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NC(C)c2ccccc2C(F)(F)F)c2nncn2n1
InChIInChI=1S/C16H16F3N5/c1-3-11-8-14(15-22-20-9-24(15)23-11)21-10(2)12-6-4-5-7-13(12)16(17,18)19/h4-10,21H,3H2,1-2H3
InChIKeyCXCCAVORBCZLCM-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.88
Rot. Bonds4

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

6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176501471) has the molecular formula C16H16F3N5 and a molecular weight of 335.33 g/mol. Its IUPAC name is 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176501471
Molecular FormulaC16H16F3N5
Molecular Weight335.33 g/mol
Exact Mass335.14
IUPAC Name6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NC(C)c2ccccc2C(F)(F)F)c2nncn2n1
InChIInChI=1S/C16H16F3N5/c1-3-11-8-14(15-22-20-9-24(15)23-11)21-10(2)12-6-4-5-7-13(12)16(17,18)19/h4-10,21H,3H2,1-2H3
InChIKeyCXCCAVORBCZLCM-UHFFFAOYSA-N
XLogP3.88
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176500079
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
3-bromo-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 107630374
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176501471) is 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CCc1cc(NC(C)c2ccccc2C(F)(F)F)c2nncn2n1.
What is the InChIKey of 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is CXCCAVORBCZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5/c1-3-11-8-14(15-22-20-9-24(15)23-11)21-10(2)12-6-4-5-7-13(12)16(17,18)19/h4-10,21H,3H2,1-2H3.
What are the key properties of 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 335.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176501471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).