acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine

C90H122Cl2N28O6 — CID 159961436

About acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine

acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine (PubChem CID 159961436) has the molecular formula C90H122Cl2N28O6 and a molecular weight of 1763.06 g/mol. Its IUPAC name is acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine.

Molecular Properties

• Compound Name: acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine
• PubChem CID: 159961436
• Molecular Formula: C90H122Cl2N28O6
• Molecular Weight: 1763.06 g/mol
• Exact Mass: 1760.95
• IUPAC Name: acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine
• SMILES: CC(=O)Cl.CC(=O)N1CCC(Nc2cc(N(C)Cc3ccccc3)nn3c(C)nnc23)CC1.CNCc1ccccc1.Cc1nnc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(Cl)nn12.Cc1nnc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(N(C)Cc3ccccc3)nn12.Cc1nnc2c(NC3CCNCC3)cc(N(C)Cc3ccccc3)nn12
• InChI: InChI=1S/C24H33N7O2.C21H27N7O.C19H25N7.C16H23ClN6O2.C8H11N.C2H3ClO/c1-17-26-27-22-20(25-19-11-13-30(14-12-19)23(32)33-24(2,3)4)15-21(28-31(17)22)29(5)16-18-9-7-6-8-10-18;1-15-23-24-21-19(22-18-9-11-27(12-10-18)16(2)29)13-20(25-28(15)21)26(3)14-17-7-5-4-6-8-17;1-14-22-23-19-17(21-16-8-10-20-11-9-16)12-18(24-26(14)19)25(2)13-15-6-4-3-5-7-15;1-10-19-20-14-12(9-13(17)21-23(10)14)18-11-5-7-22(8-6-11)15(24)25-16(2,3)4;1-9-7-8-5-3-2-4-6-8;1-2(3)4/h6-10,15,19,25H,11-14,16H2,1-5H3;4-8,13,18,22H,9-12,14H2,1-3H3;3-7,12,16,20-21H,8-11,13H2,1-2H3;9,11,18H,5-8H2,1-4H3;2-6,9H,7H2,1H3;1H3
• InChIKey: ODJPRSCGOVIRAE-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 350.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.06
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine?

The IUPAC name of acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine (CID 159961436) is acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine.

What is the SMILES notation for acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine?

The canonical SMILES for acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine is CC(=O)Cl.CC(=O)N1CCC(Nc2cc(N(C)Cc3ccccc3)nn3c(C)nnc23)CC1.CNCc1ccccc1.Cc1nnc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(Cl)nn12.Cc1nnc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(N(C)Cc3ccccc3)nn12.Cc1nnc2c(NC3CCNCC3)cc(N(C)Cc3ccccc3)nn12.

What is the InChIKey of acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine?

The InChIKey is ODJPRSCGOVIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2.C21H27N7O.C19H25N7.C16H23ClN6O2.C8H11N.C2H3ClO/c1-17-26-27-22-20(25-19-11-13-30(14-12-19)23(32)33-24(2,3)4)15-21(28-31(17)22)29(5)16-18-9-7-6-8-10-18;1-15-23-24-21-19(22-18-9-11-27(12-10-18)16(2)29)13-20(25-28(15)21)26(3)14-17-7-5-4-6-8-17;1-14-22-23-19-17(21-16-8-10-20-11-9-16)12-18(24-26(14)19)25(2)13-15-6-4-3-5-7-15;1-10-19-20-14-12(9-13(17)21-23(10)14)18-11-5-7-22(8-6-11)15(24)25-16(2,3)4;1-9-7-8-5-3-2-4-6-8;1-2(3)4/h6-10,15,19,25H,11-14,16H2,1-5H3;4-8,13,18,22H,9-12,14H2,1-3H3;3-7,12,16,20-21H,8-11,13H2,1-2H3;9,11,18H,5-8H2,1-4H3;2-6,9H,7H2,1H3;1H3.

What are the key properties of acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine?

acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine has a molecular weight of 1763.06 g/mol, XLogP of 13.68, 19 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;6-N-benzyl-6-N,3-dimethyl-8-N-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine;1-[4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidin-1-yl]ethanone;tert-butyl 4-[[6-[benzyl(methyl)amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl 4-[(6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]piperidine-1-carboxylate;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 159961436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).