4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

C19H16FN5O — CID 59339235

IUPAC4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(NCc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C19H16FN5O/c20-15-3-1-2-14(10-15)12-21-17-8-9-18-22-23-19(25(18)24-17)11-13-4-6-16(26)7-5-13/h1-10,26H,11-12H2,(H,21,24)
InChIKeyAKPLSMGPGWMOOV-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.17
Rot. Bonds5

About 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 59339235) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID59339235
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(NCc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C19H16FN5O/c20-15-3-1-2-14(10-15)12-21-17-8-9-18-22-23-19(25(18)24-17)11-13-4-6-16(26)7-5-13/h1-10,26H,11-12H2,(H,21,24)
InChIKeyAKPLSMGPGWMOOV-UHFFFAOYSA-N
XLogP3.17
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol with MolForge

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Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
Phenol, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3071213
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
(E)-4-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol
CID 135630269
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
4-[5-[(4-Fluorophenyl)methylamino]triazolo[4,5-b]pyridin-3-yl]phenol
CID 53372414
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
2,6-Dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 71453547

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 59339235) is 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is Oc1ccc(Cc2nnc3ccc(NCc4cccc(F)c4)nn23)cc1.
What is the InChIKey of 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is AKPLSMGPGWMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-15-3-1-2-14(10-15)12-21-17-8-9-18-22-23-19(25(18)24-17)11-13-4-6-16(26)7-5-13/h1-10,26H,11-12H2,(H,21,24).
What are the key properties of 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 349.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(3-fluorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 59339235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).