6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)

C122H158N38O14 — CID 160797513

About 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)

6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide) (PubChem CID 160797513) has the molecular formula C122H158N38O14 and a molecular weight of 2380.86 g/mol. Its IUPAC name is 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide).

Molecular Properties

• Compound Name: 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)
• PubChem CID: 160797513
• Molecular Formula: C122H158N38O14
• Molecular Weight: 2380.86 g/mol
• Exact Mass: 2379.28
• IUPAC Name: 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)
• SMILES: 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]1Nc1c(C(N)=O)cnn2cc(N)cc12.C[C@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cc([N+](=O)[O-])cc12.Cc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12.Cc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12.[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/2C16H22N4O.2C15H19N5O3.2C15H17N5O2.2C15H21N5O/c2*1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;2*1-9-4-2-3-5-12(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;2*1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20/h2*7-10,13,19H,3-6H2,1-2H3,(H2,17,21);2*6-9,12,18H,2-5H2,1H3,(H2,16,21);2*7-10,12,18H,3-6H2,1H3;2*6-9,12,19H,2-5,16H2,1H3,(H2,17,21)/t2*10-,13+;2*9-,12+;2*10-,12+;2*9-,12+/m00101010/s1
• InChIKey: SCQAKSPINWIKBD-LNGWODKGSA-N
• XLogP: 21.71
• TPSA: 726.50 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.86
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

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'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)?

The IUPAC name of 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide) (CID 160797513) is 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide).

What is the SMILES notation for 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)?

The canonical SMILES for 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide) is 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]1Nc1c(C(N)=O)cnn2cc(N)cc12.C[C@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cc([N+](=O)[O-])cc12.Cc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12.Cc1ccc2c(N[C@@H]3CCCC[C@@H]3C)c(C(N)=O)cnn12.[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-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)?

The InChIKey is SCQAKSPINWIKBD-LNGWODKGSA-N. The full InChI is InChI=1S/2C16H22N4O.2C15H19N5O3.2C15H17N5O2.2C15H21N5O/c2*1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;2*1-9-4-2-3-5-12(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;2*1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20/h2*7-10,13,19H,3-6H2,1-2H3,(H2,17,21);2*6-9,12,18H,2-5H2,1H3,(H2,16,21);2*7-10,12,18H,3-6H2,1H3;2*6-9,12,19H,2-5,16H2,1H3,(H2,17,21)/t2*10-,13+;2*9-,12+;2*10-,12+;2*9-,12+/m00101010/s1.

What are the key properties of 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide)?

6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide) has a molecular weight of 2380.86 g/mol, XLogP of 21.71, 26 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;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;4-[[(1R,2S)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;bis(7-methyl-4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide) is sourced from PubChem (CID 160797513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).