lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide

C85H96Cl5LiN34O14 — CID 161499608

About lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide

lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide (PubChem CID 161499608) has the molecular formula C85H96Cl5LiN34O14 and a molecular weight of 2002.13 g/mol. Its IUPAC name is lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide.

Molecular Properties

• Compound Name: lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide
• PubChem CID: 161499608
• Molecular Formula: C85H96Cl5LiN34O14
• Molecular Weight: 2002.13 g/mol
• Exact Mass: 1998.64
• IUPAC Name: lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide
• SMILES: CCNC(=O)Nc1cc(N(C)[C@@H](C)c2ccccc2)nn2c(C)nnc12.CN[C@@H](C)c1ccccc1.COC(=O)c1cc(Cl)nn2c(C)nnc12.COC(=O)c1cc(N(C)[C@@H](C)c2ccccc2)nn2c(C)nnc12.Cc1nnc2c(C(=O)O)cc(Cl)nn12.Cc1nnc2c(C(=O)O)cc(N(C)[C@@H](C)c3ccccc3)nn12.NN.NNc1nnc(Cl)cc1C(=O)O.O=C(O)c1cc(Cl)nnc1Cl.[Li+].[OH-]
• InChI: InChI=1S/C18H23N7O.C17H19N5O2.C16H17N5O2.C9H13N.C8H7ClN4O2.C7H5ClN4O2.C5H2Cl2N2O2.C5H5ClN4O2.Li.H4N2.H2O/c1-5-19-18(26)20-15-11-16(23-25-13(3)21-22-17(15)25)24(4)12(2)14-9-7-6-8-10-14;1-11(13-8-6-5-7-9-13)21(3)15-10-14(17(23)24-4)16-19-18-12(2)22(16)20-15;1-10(12-7-5-4-6-8-12)20(3)14-9-13(16(22)23)15-18-17-11(2)21(15)19-14;1-8(10-2)9-6-4-3-5-7-9;1-4-10-11-7-5(8(14)15-2)3-6(9)12-13(4)7;1-3-9-10-6-4(7(13)14)2-5(8)11-12(3)6;6-3-1-2(5(10)11)4(7)9-8-3;6-3-1-2(5(11)12)4(8-7)10-9-3;;1-2;/h6-12H,5H2,1-4H3,(H2,19,20,26);5-11H,1-4H3;4-10H,1-3H3,(H,22,23);3-8,10H,1-2H3;3H,1-2H3;2H,1H3,(H,13,14);1H,(H,10,11);1H,7H2,(H,8,10)(H,11,12);;1-2H2;1H2/q;;;;;;;;+1;;/p-1/t12-;11-;10-;8-;;;;;;;/m0000......./s1
• InChIKey: WGQXNZNNPYYGAG-FBQRXPIJSA-M
• XLogP: 8.38
• TPSA: 651.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.13
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide?

The IUPAC name of lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide (CID 161499608) is lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide.

What is the SMILES notation for lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide?

The canonical SMILES for lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide is CCNC(=O)Nc1cc(N(C)[C@@H](C)c2ccccc2)nn2c(C)nnc12.CN[C@@H](C)c1ccccc1.COC(=O)c1cc(Cl)nn2c(C)nnc12.COC(=O)c1cc(N(C)[C@@H](C)c2ccccc2)nn2c(C)nnc12.Cc1nnc2c(C(=O)O)cc(Cl)nn12.Cc1nnc2c(C(=O)O)cc(N(C)[C@@H](C)c3ccccc3)nn12.NN.NNc1nnc(Cl)cc1C(=O)O.O=C(O)c1cc(Cl)nnc1Cl.[Li+].[OH-].

What is the InChIKey of lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide?

The InChIKey is WGQXNZNNPYYGAG-FBQRXPIJSA-M. The full InChI is InChI=1S/C18H23N7O.C17H19N5O2.C16H17N5O2.C9H13N.C8H7ClN4O2.C7H5ClN4O2.C5H2Cl2N2O2.C5H5ClN4O2.Li.H4N2.H2O/c1-5-19-18(26)20-15-11-16(23-25-13(3)21-22-17(15)25)24(4)12(2)14-9-7-6-8-10-14;1-11(13-8-6-5-7-9-13)21(3)15-10-14(17(23)24-4)16-19-18-12(2)22(16)20-15;1-10(12-7-5-4-6-8-12)20(3)14-9-13(16(22)23)15-18-17-11(2)21(15)19-14;1-8(10-2)9-6-4-3-5-7-9;1-4-10-11-7-5(8(14)15-2)3-6(9)12-13(4)7;1-3-9-10-6-4(7(13)14)2-5(8)11-12(3)6;6-3-1-2(5(10)11)4(7)9-8-3;6-3-1-2(5(11)12)4(8-7)10-9-3;;1-2;/h6-12H,5H2,1-4H3,(H2,19,20,26);5-11H,1-4H3;4-10H,1-3H3,(H,22,23);3-8,10H,1-2H3;3H,1-2H3;2H,1H3,(H,13,14);1H,(H,10,11);1H,7H2,(H,8,10)(H,11,12);;1-2H2;1H2/q;;;;;;;;+1;;/p-1/t12-;11-;10-;8-;;;;;;;/m0000......./s1.

What are the key properties of lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide?

lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide has a molecular weight of 2002.13 g/mol, XLogP of 8.38, 20 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-chloro-3-hydrazinylpyridazine-4-carboxylic acid;6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;3,6-dichloropyridazine-4-carboxylic acid;1-ethyl-3-[3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]urea;hydrazine;methyl 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;methyl 3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylate;3-methyl-6-[methyl-[(1S)-1-phenylethyl]amino]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;(1S)-N-methyl-1-phenylethanamine;hydroxide is sourced from PubChem (CID 161499608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).