azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate

C90H128Cl2N26O8 — CID 161131356

About azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate

azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate (PubChem CID 161131356) has the molecular formula C90H128Cl2N26O8 and a molecular weight of 1773.09 g/mol. Its IUPAC name is azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate.

Molecular Properties

• Compound Name: azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate
• PubChem CID: 161131356
• Molecular Formula: C90H128Cl2N26O8
• Molecular Weight: 1773.09 g/mol
• Exact Mass: 1770.98
• IUPAC Name: azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate
• SMILES: C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12.C[C@H]1CCCC[C@H]1N.C[C@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.N.N.O.O.OO.OO.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1N[C@@H]1CCCC[C@@H]1C.[C-]#[N+]c1cnn2cccc2c1N[C@H]1CCCC[C@H]1C
• InChI: InChI=1S/2C15H20N4O.2C15H18N4.2C8H4ClN3.2C7H15N.2H3N.2H2O2.2H2O/c2*1-10-5-2-3-6-12(10)18-14-11(15(16)20)9-17-19-8-4-7-13(14)19;2*1-11-6-3-4-7-12(11)18-15-13(16-2)10-17-19-9-5-8-14(15)19;2*1-10-6-5-11-12-4-2-3-7(12)8(6)9;2*1-6-4-2-3-5-7(6)8;;;2*1-2;;/h2*4,7-10,12,18H,2-3,5-6H2,1H3,(H2,16,20);2*5,8-12,18H,3-4,6-7H2,1H3;2*2-5H;2*6-7H,2-5,8H2,1H3;2*1H3;2*1-2H;2*1H2/t2*10-,12+;2*11-,12+;;;2*6-,7+;;;;;;/m1010..10....../s1
• InChIKey: BPVDXKFWQJPVOG-CGCXIDTASA-N
• XLogP: 19.43
• TPSA: 521.50 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1773.09
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

The IUPAC name of azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate (CID 161131356) is azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate.

What is the SMILES notation for azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

The canonical SMILES for azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate is C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cccc12.C[C@H]1CCCC[C@H]1N.C[C@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.N.N.O.O.OO.OO.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1N[C@@H]1CCCC[C@@H]1C.[C-]#[N+]c1cnn2cccc2c1N[C@H]1CCCC[C@H]1C.

What is the InChIKey of azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

The InChIKey is BPVDXKFWQJPVOG-CGCXIDTASA-N. The full InChI is InChI=1S/2C15H20N4O.2C15H18N4.2C8H4ClN3.2C7H15N.2H3N.2H2O2.2H2O/c2*1-10-5-2-3-6-12(10)18-14-11(15(16)20)9-17-19-8-4-7-13(14)19;2*1-11-6-3-4-7-12(11)18-15-13(16-2)10-17-19-9-5-8-14(15)19;2*1-10-6-5-11-12-4-2-3-7(12)8(6)9;2*1-6-4-2-3-5-7(6)8;;;2*1-2;;/h2*4,7-10,12,18H,2-3,5-6H2,1H3,(H2,16,20);2*5,8-12,18H,3-4,6-7H2,1H3;2*2-5H;2*6-7H,2-5,8H2,1H3;2*1H3;2*1-2H;2*1H2/t2*10-,12+;2*11-,12+;;;2*6-,7+;;;;;;/m1010..10....../s1.

What are the key properties of azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate has a molecular weight of 1773.09 g/mol, XLogP of 19.43, 10 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for azane;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cis-(1S,2R)-2-methylcyclohexan-1-amine;cis-(1R,2S)-2-methylcyclohexan-1-amine;hydrogen peroxide;3-isocyano-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate is sourced from PubChem (CID 161131356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).