6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine

C73H70F8N30O — CID 159548946

IUPAC6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine
SMILESCOc1cccc(Nc2nnc(NC3CC3)cccn[nH]2)c1.FC(F)(F)c1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.FC(F)(F)c1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.Fc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.Fc1ccccc1Nc1nnc2ccc(NC3CC3)nn12
InChIInChI=1S/2C15H13F3N6.C15H18N6O.2C14H13FN6/c16-15(17,18)9-1-3-11(4-2-9)20-14-22-21-13-8-7-12(23-24(13)14)19-10-5-6-10;16-15(17,18)9-2-1-3-11(8-9)20-14-22-21-13-7-6-12(23-24(13)14)19-10-4-5-10;1-22-13-5-2-4-12(10-13)18-15-20-16-9-3-6-14(19-21-15)17-11-7-8-11;15-9-1-3-11(4-2-9)17-14-19-18-13-8-7-12(20-21(13)14)16-10-5-6-10;15-10-3-1-2-4-11(10)17-14-19-18-13-8-7-12(20-21(13)14)16-9-5-6-9/h1-4,7-8,10H,5-6H2,(H,19,23)(H,20,22);1-3,6-8,10H,4-5H2,(H,19,23)(H,20,22);2-6,9-11H,7-8H2,1H3,(H,17,19)(H2,18,20,21);1-4,7-8,10H,5-6H2,(H,16,20)(H,17,19);1-4,7-9H,5-6H2,(H,16,20)(H,17,19)/b;;6-3-,16-9-;;
InChIKeyMFDNOTZMBAFLEY-WNRUAADUSA-N
MW1535.56 g/mol
LogP14.74
Rot. Bonds21

About 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine

6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine (PubChem CID 159548946) has the molecular formula C73H70F8N30O and a molecular weight of 1535.56 g/mol. Its IUPAC name is 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine
PubChem CID159548946
Molecular FormulaC73H70F8N30O
Molecular Weight1535.56 g/mol
Exact Mass1534.62
IUPAC Name6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine
SMILESCOc1cccc(Nc2nnc(NC3CC3)cccn[nH]2)c1.FC(F)(F)c1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.FC(F)(F)c1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.Fc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.Fc1ccccc1Nc1nnc2ccc(NC3CC3)nn12
InChIInChI=1S/2C15H13F3N6.C15H18N6O.2C14H13FN6/c16-15(17,18)9-1-3-11(4-2-9)20-14-22-21-13-8-7-12(23-24(13)14)19-10-5-6-10;16-15(17,18)9-2-1-3-11(8-9)20-14-22-21-13-7-6-12(23-24(13)14)19-10-4-5-10;1-22-13-5-2-4-12(10-13)18-15-20-16-9-3-6-14(19-21-15)17-11-7-8-11;15-9-1-3-11(4-2-9)17-14-19-18-13-8-7-12(20-21(13)14)16-10-5-6-10;15-10-3-1-2-4-11(10)17-14-19-18-13-8-7-12(20-21(13)14)16-9-5-6-9/h1-4,7-8,10H,5-6H2,(H,19,23)(H,20,22);1-3,6-8,10H,4-5H2,(H,19,23)(H,20,22);2-6,9-11H,7-8H2,1H3,(H,17,19)(H2,18,20,21);1-4,7-8,10H,5-6H2,(H,16,20)(H,17,19);1-4,7-9H,5-6H2,(H,16,20)(H,17,19)/b;;6-3-,16-9-;;
InChIKeyMFDNOTZMBAFLEY-WNRUAADUSA-N
XLogP14.74
TPSA356.31 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001535.56
LogP ≤ 514.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?
The IUPAC name of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine (CID 159548946) is 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine is COc1cccc(Nc2nnc(NC3CC3)cccn[nH]2)c1.FC(F)(F)c1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.FC(F)(F)c1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.Fc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.Fc1ccccc1Nc1nnc2ccc(NC3CC3)nn12.
What is the InChIKey of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?
The InChIKey is MFDNOTZMBAFLEY-WNRUAADUSA-N. The full InChI is InChI=1S/2C15H13F3N6.C15H18N6O.2C14H13FN6/c16-15(17,18)9-1-3-11(4-2-9)20-14-22-21-13-8-7-12(23-24(13)14)19-10-5-6-10;16-15(17,18)9-2-1-3-11(8-9)20-14-22-21-13-7-6-12(23-24(13)14)19-10-4-5-10;1-22-13-5-2-4-12(10-13)18-15-20-16-9-3-6-14(19-21-15)17-11-7-8-11;15-9-1-3-11(4-2-9)17-14-19-18-13-8-7-12(20-21(13)14)16-10-5-6-10;15-10-3-1-2-4-11(10)17-14-19-18-13-8-7-12(20-21(13)14)16-9-5-6-9/h1-4,7-8,10H,5-6H2,(H,19,23)(H,20,22);1-3,6-8,10H,4-5H2,(H,19,23)(H,20,22);2-6,9-11H,7-8H2,1H3,(H,17,19)(H2,18,20,21);1-4,7-8,10H,5-6H2,(H,16,20)(H,17,19);1-4,7-9H,5-6H2,(H,16,20)(H,17,19)/b;;6-3-,16-9-;;.
What are the key properties of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?
6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine has a molecular weight of 1535.56 g/mol, XLogP of 14.74, 21 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-2H-1,2,4,5-tetrazonine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine is sourced from PubChem (CID 159548946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).