N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine

C17H19F3N6 — CID 99802743

IUPACN-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)c1ccc2nnc(-c3ccccc3F)n2n1)CC(F)F
InChIInChI=1S/C17H19F3N6/c1-24(11-14(19)20)9-10-25(2)16-8-7-15-21-22-17(26(15)23-16)12-5-3-4-6-13(12)18/h3-8,14H,9-11H2,1-2H3
InChIKeyLWNLFNNXSBTTGX-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.56
Rot. Bonds7

About N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine

N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 99802743) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID99802743
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC NameN-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)c1ccc2nnc(-c3ccccc3F)n2n1)CC(F)F
InChIInChI=1S/C17H19F3N6/c1-24(11-14(19)20)9-10-25(2)16-8-7-15-21-22-17(26(15)23-16)12-5-3-4-6-13(12)18/h3-8,14H,9-11H2,1-2H3
InChIKeyLWNLFNNXSBTTGX-UHFFFAOYSA-N
XLogP2.56
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine (CID 99802743) is N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)c1ccc2nnc(-c3ccccc3F)n2n1)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is LWNLFNNXSBTTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c1-24(11-14(19)20)9-10-25(2)16-8-7-15-21-22-17(26(15)23-16)12-5-3-4-6-13(12)18/h3-8,14H,9-11H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine?
N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 364.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 99802743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).