3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile

C70H59FN32O2 — CID 160552331

IUPAC3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile
SMILESCOc1ccc2nnc(Nc3ccc(C#N)cc3)n2n1.COc1ccc2nnc(Nc3cccc(C#N)c3)n2n1.Fc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.N#Cc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.N#Cc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1
InChIInChI=1S/2C15H13N7.C14H13FN6.2C13H10N6O/c16-9-10-1-3-12(4-2-10)18-15-20-19-14-8-7-13(21-22(14)15)17-11-5-6-11;16-9-10-2-1-3-12(8-10)18-15-20-19-14-7-6-13(21-22(14)15)17-11-4-5-11;15-9-2-1-3-11(8-9)17-14-19-18-13-7-6-12(20-21(13)14)16-10-4-5-10;1-20-12-7-6-11-16-17-13(19(11)18-12)15-10-4-2-9(8-14)3-5-10;1-20-12-6-5-11-16-17-13(19(11)18-12)15-10-4-2-3-9(7-10)8-14/h1-4,7-8,11H,5-6H2,(H,17,21)(H,18,20);1-3,6-8,11H,4-5H2,(H,17,21)(H,18,20);1-3,6-8,10H,4-5H2,(H,16,20)(H,17,19);2*2-7H,1H3,(H,15,17)
InChIKeyQYFWKUJSNFMYFQ-UHFFFAOYSA-N
MW1399.46 g/mol
LogP10.71
Rot. Bonds18

About 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile

3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile (PubChem CID 160552331) has the molecular formula C70H59FN32O2 and a molecular weight of 1399.46 g/mol. Its IUPAC name is 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile
PubChem CID160552331
Molecular FormulaC70H59FN32O2
Molecular Weight1399.46 g/mol
Exact Mass1398.55
IUPAC Name3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile
SMILESCOc1ccc2nnc(Nc3ccc(C#N)cc3)n2n1.COc1ccc2nnc(Nc3cccc(C#N)c3)n2n1.Fc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.N#Cc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.N#Cc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1
InChIInChI=1S/2C15H13N7.C14H13FN6.2C13H10N6O/c16-9-10-1-3-12(4-2-10)18-15-20-19-14-8-7-13(21-22(14)15)17-11-5-6-11;16-9-10-2-1-3-12(8-10)18-15-20-19-14-7-6-13(21-22(14)15)17-11-4-5-11;15-9-2-1-3-11(8-9)17-14-19-18-13-7-6-12(20-21(13)14)16-10-4-5-10;1-20-12-7-6-11-16-17-13(19(11)18-12)15-10-4-2-9(8-14)3-5-10;1-20-12-6-5-11-16-17-13(19(11)18-12)15-10-4-2-3-9(7-10)8-14/h1-4,7-8,11H,5-6H2,(H,17,21)(H,18,20);1-3,6-8,11H,4-5H2,(H,17,21)(H,18,20);1-3,6-8,10H,4-5H2,(H,16,20)(H,17,19);2*2-7H,1H3,(H,15,17)
InChIKeyQYFWKUJSNFMYFQ-UHFFFAOYSA-N
XLogP10.71
TPSA425.26 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001399.46
LogP ≤ 510.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile?
The IUPAC name of 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile (CID 160552331) is 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile.
What is the SMILES notation for 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile?
The canonical SMILES for 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile is COc1ccc2nnc(Nc3ccc(C#N)cc3)n2n1.COc1ccc2nnc(Nc3cccc(C#N)c3)n2n1.Fc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.N#Cc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.N#Cc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.
What is the InChIKey of 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile?
The InChIKey is QYFWKUJSNFMYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13N7.C14H13FN6.2C13H10N6O/c16-9-10-1-3-12(4-2-10)18-15-20-19-14-8-7-13(21-22(14)15)17-11-5-6-11;16-9-10-2-1-3-12(8-10)18-15-20-19-14-7-6-13(21-22(14)15)17-11-4-5-11;15-9-2-1-3-11(8-9)17-14-19-18-13-7-6-12(20-21(13)14)16-10-4-5-10;1-20-12-7-6-11-16-17-13(19(11)18-12)15-10-4-2-9(8-14)3-5-10;1-20-12-6-5-11-16-17-13(19(11)18-12)15-10-4-2-3-9(7-10)8-14/h1-4,7-8,11H,5-6H2,(H,17,21)(H,18,20);1-3,6-8,11H,4-5H2,(H,17,21)(H,18,20);1-3,6-8,10H,4-5H2,(H,16,20)(H,17,19);2*2-7H,1H3,(H,15,17).
What are the key properties of 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile?
3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile has a molecular weight of 1399.46 g/mol, XLogP of 10.71, 18 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;4-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]amino]benzonitrile;6-N-cyclopropyl-3-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;3-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile;4-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)amino]benzonitrile is sourced from PubChem (CID 160552331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).