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

C16H16F3N7O — CID 17489202

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NCc3ccc(N4CCOCC4)nc3)nn12
InChIInChI=1S/C16H16F3N7O/c17-16(18,19)15-23-22-14-4-2-12(24-26(14)15)20-9-11-1-3-13(21-10-11)25-5-7-27-8-6-25/h1-4,10H,5-9H2,(H,20,24)
InChIKeyDWNRFPVCMWZMKG-UHFFFAOYSA-N
MW379.35 g/mol
LogP1.99
Rot. Bonds4

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

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 17489202) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID17489202
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NCc3ccc(N4CCOCC4)nc3)nn12
InChIInChI=1S/C16H16F3N7O/c17-16(18,19)15-23-22-14-4-2-12(24-26(14)15)20-9-11-1-3-13(21-10-11)25-5-7-27-8-6-25/h1-4,10H,5-9H2,(H,20,24)
InChIKeyDWNRFPVCMWZMKG-UHFFFAOYSA-N
XLogP1.99
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300910
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 31260275
N-[(2R)-2-morpholin-4-ylpropyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 32875134
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51931109
3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300733
[4-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]phenyl]methanesulfonamide
CID 16581976
N-[(4-fluoro-3-methylphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24587903
4-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575963
4-[2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074667
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 60570241
tert-butyl 4-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzoate
CID 133326477

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 17489202) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1nnc2ccc(NCc3ccc(N4CCOCC4)nc3)nn12.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DWNRFPVCMWZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O/c17-16(18,19)15-23-22-14-4-2-12(24-26(14)15)20-9-11-1-3-13(21-10-11)25-5-7-27-8-6-25/h1-4,10H,5-9H2,(H,20,24).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 379.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 17489202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).