6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde

C97H85Cl2N27O6 — CID 159074318

About 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde

6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde (PubChem CID 159074318) has the molecular formula C97H85Cl2N27O6 and a molecular weight of 1795.84 g/mol. Its IUPAC name is 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde.

Molecular Properties

• Compound Name: 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde
• PubChem CID: 159074318
• Molecular Formula: C97H85Cl2N27O6
• Molecular Weight: 1795.84 g/mol
• Exact Mass: 1793.66
• IUPAC Name: 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde
• SMILES: CN(C)/C=C/c1ccnn2c(-c3ccccc3)nnc12.COC(=O)CC(CNCl)c1ccccc1.COC(=O)c1ccnn2c(-c3ccccc3)nnc12.Cc1cc(Cl)nn2c(-c3ccccc3)nnc12.Cc1ccnn2c(-c3ccccc3)nnc12.O=C1CC(c2ccccc2)CN1Cc1ccnn2c(-c3ccccc3)nnc12.O=Cc1ccnn2c(-c3ccccc3)nnc12
• InChI: InChI=1S/C22H19N5O.C15H15N5.C13H10N4O2.C12H9ClN4.C12H8N4O.C12H10N4.C11H14ClNO2/c28-20-13-19(16-7-3-1-4-8-16)15-26(20)14-18-11-12-23-27-21(24-25-22(18)27)17-9-5-2-6-10-17;1-19(2)11-9-13-8-10-16-20-14(17-18-15(13)20)12-6-4-3-5-7-12;1-19-13(18)10-7-8-14-17-11(15-16-12(10)17)9-5-3-2-4-6-9;1-8-7-10(13)16-17-11(8)14-15-12(17)9-5-3-2-4-6-9;17-8-10-6-7-13-16-11(14-15-12(10)16)9-4-2-1-3-5-9;1-9-7-8-13-16-11(9)14-15-12(16)10-5-3-2-4-6-10;1-15-11(14)7-10(8-13-12)9-5-3-2-4-6-9/h1-12,19H,13-15H2;3-11H,1-2H3;2-8H,1H3;2-7H,1H3;1-8H;2-8H,1H3;2-6,10,13H,7-8H2,1H3/b;11-9+
• InChIKey: KABDGEHQJHOYRG-OMIQKVQTSA-N
• XLogP: 15.74
• TPSA: 363.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.84
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde?

The IUPAC name of 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde (CID 159074318) is 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde.

What is the SMILES notation for 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde?

The canonical SMILES for 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde is CN(C)/C=C/c1ccnn2c(-c3ccccc3)nnc12.COC(=O)CC(CNCl)c1ccccc1.COC(=O)c1ccnn2c(-c3ccccc3)nnc12.Cc1cc(Cl)nn2c(-c3ccccc3)nnc12.Cc1ccnn2c(-c3ccccc3)nnc12.O=C1CC(c2ccccc2)CN1Cc1ccnn2c(-c3ccccc3)nnc12.O=Cc1ccnn2c(-c3ccccc3)nnc12.

What is the InChIKey of 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde?

The InChIKey is KABDGEHQJHOYRG-OMIQKVQTSA-N. The full InChI is InChI=1S/C22H19N5O.C15H15N5.C13H10N4O2.C12H9ClN4.C12H8N4O.C12H10N4.C11H14ClNO2/c28-20-13-19(16-7-3-1-4-8-16)15-26(20)14-18-11-12-23-27-21(24-25-22(18)27)17-9-5-2-6-10-17;1-19(2)11-9-13-8-10-16-20-14(17-18-15(13)20)12-6-4-3-5-7-12;1-19-13(18)10-7-8-14-17-11(15-16-12(10)17)9-5-3-2-4-6-9;1-8-7-10(13)16-17-11(8)14-15-12(17)9-5-3-2-4-6-9;17-8-10-6-7-13-16-11(14-15-12(10)16)9-4-2-1-3-5-9;1-9-7-8-13-16-11(9)14-15-12(16)10-5-3-2-4-6-10;1-15-11(14)7-10(8-13-12)9-5-3-2-4-6-9/h1-12,19H,13-15H2;3-11H,1-2H3;2-8H,1H3;2-7H,1H3;1-8H;2-8H,1H3;2-6,10,13H,7-8H2,1H3/b;11-9+;;;;;.

What are the key properties of 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde?

6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde has a molecular weight of 1795.84 g/mol, XLogP of 15.74, 18 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;(E)-N,N-dimethyl-2-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)ethenamine;methyl 4-(chloroamino)-3-phenylbutanoate;8-methyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;4-phenyl-1-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)methyl]pyrrolidin-2-one;3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carbaldehyde is sourced from PubChem (CID 159074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).