6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate

C91H128Cl2N32O18 — CID 159533400

About 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate

6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate (PubChem CID 159533400) has the molecular formula C91H128Cl2N32O18 and a molecular weight of 2029.14 g/mol. Its IUPAC name is 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate.

Molecular Properties

• Compound Name: 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate
• PubChem CID: 159533400
• Molecular Formula: C91H128Cl2N32O18
• Molecular Weight: 2029.14 g/mol
• Exact Mass: 2026.95
• IUPAC Name: 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate
• SMILES: C.C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc(N)cc12.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc([N+](=O)[O-])cc12.C[C@H]1CCCC[C@H]1N.N.N.O.O.OO.OO.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1N[C@@H]1CCCC[C@@H]1C.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1N[C@H]1CCCC[C@H]1C
• InChI: InChI=1S/C15H19N5O3.2C15H17N5O2.C15H21N5O.2C8H3ClN4O2.2C7H15N.CH4.2H3N.2H2O2.2H2O/c1-9-4-2-3-5-12(9)18-14-11(15(16)21)7-17-19-8-10(20(22)23)6-13(14)19;2*1-10-5-3-4-6-12(10)18-15-13(16-2)8-17-19-9-11(20(21)22)7-14(15)19;1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20;2*1-10-6-3-11-12-4-5(13(14)15)2-7(12)8(6)9;2*1-6-4-2-3-5-7(6)8;;;;2*1-2;;/h6-9,12,18H,2-5H2,1H3,(H2,16,21);2*7-10,12,18H,3-6H2,1H3;6-9,12,19H,2-5,16H2,1H3,(H2,17,21);2*2-4H;2*6-7H,2-5,8H2,1H3;1H4;2*1H3;2*1-2H;2*1H2/t9-,12+;2*10-,12+;9-,12+;;;2*6-,7+;;;;;;;/m1101..10......./s1
• InChIKey: SNIMVMQWBWXQJY-BPHUAIBFSA-N
• XLogP: 19.19
• TPSA: 763.22 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2029.14
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

The IUPAC name of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate (CID 159533400) is 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate.

What is the SMILES notation for 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

The canonical SMILES for 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate is C.C[C@@H]1CCCC[C@@H]1N.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc(N)cc12.C[C@@H]1CCCC[C@@H]1Nc1c(C(N)=O)cnn2cc([N+](=O)[O-])cc12.C[C@H]1CCCC[C@H]1N.N.N.O.O.OO.OO.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1N[C@@H]1CCCC[C@@H]1C.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1N[C@H]1CCCC[C@H]1C.

What is the InChIKey of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

The InChIKey is SNIMVMQWBWXQJY-BPHUAIBFSA-N. The full InChI is InChI=1S/C15H19N5O3.2C15H17N5O2.C15H21N5O.2C8H3ClN4O2.2C7H15N.CH4.2H3N.2H2O2.2H2O/c1-9-4-2-3-5-12(9)18-14-11(15(16)21)7-17-19-8-10(20(22)23)6-13(14)19;2*1-10-5-3-4-6-12(10)18-15-13(16-2)8-17-19-9-11(20(21)22)7-14(15)19;1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20;2*1-10-6-3-11-12-4-5(13(14)15)2-7(12)8(6)9;2*1-6-4-2-3-5-7(6)8;;;;2*1-2;;/h6-9,12,18H,2-5H2,1H3,(H2,16,21);2*7-10,12,18H,3-6H2,1H3;6-9,12,19H,2-5,16H2,1H3,(H2,17,21);2*2-4H;2*6-7H,2-5,8H2,1H3;1H4;2*1H3;2*1-2H;2*1H2/t9-,12+;2*10-,12+;9-,12+;;;2*6-,7+;;;;;;;/m1101..10......./s1.

What are the key properties of 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate?

6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate has a molecular weight of 2029.14 g/mol, XLogP of 19.19, 15 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[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]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-[(1R,2S)-2-methylcyclohexyl]-6-nitropyrrolo[1,2-b]pyridazin-4-amine;methane;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;dihydrate is sourced from PubChem (CID 159533400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).