5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol

C18H14FN5O2 — CID 167756191

IUPAC5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol
SMILESOc1cc(O)cc(CNc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1
InChIInChI=1S/C18H14FN5O2/c19-13-3-1-12(2-4-13)18-22-21-17-6-5-16(23-24(17)18)20-10-11-7-14(25)9-15(26)8-11/h1-9,25-26H,10H2,(H,20,23)
InChIKeyIYAOIRAPLHDDOO-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.95
Rot. Bonds4

About 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol

5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol (PubChem CID 167756191) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol
PubChem CID167756191
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol
SMILESOc1cc(O)cc(CNc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1
InChIInChI=1S/C18H14FN5O2/c19-13-3-1-12(2-4-13)18-22-21-17-6-5-16(23-24(17)18)20-10-11-7-14(25)9-15(26)8-11/h1-9,25-26H,10H2,(H,20,23)
InChIKeyIYAOIRAPLHDDOO-UHFFFAOYSA-N
XLogP2.95
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol 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

5-(2-Amino-[1,2,4]triazolo[1,5-C]quinazolin-5-Ylmethyl)-Benzene-1,3-Diol
CID 69927927
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
4-[[[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]diazenyl]methyl]benzene-1,3-diol
CID 45267801
5-[7-Amino-5-(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162646142
5-[7-Amino-5-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]benzene-1,3-diol
CID 162665487
5-[5-Amino-7-(benzylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
CID 162672425
3-[5-Amino-7-(benzylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
CID 162672722
5-[5-Amino-7-(dimethylamino)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
CID 162644261
7-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 162668271
7-N-benzyl-2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 162669624
4-[7-[(4-Fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 126472402

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol?
The IUPAC name of 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol (CID 167756191) is 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol?
The canonical SMILES for 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol is Oc1cc(O)cc(CNc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1.
What is the InChIKey of 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol?
The InChIKey is IYAOIRAPLHDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-13-3-1-12(2-4-13)18-22-21-17-6-5-16(23-24(17)18)20-10-11-7-14(25)9-15(26)8-11/h1-9,25-26H,10H2,(H,20,23).
What are the key properties of 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol?
5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol has a molecular weight of 351.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 167756191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).