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

C63H84N18O7 — CID 159952738

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

4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 159952738) has the molecular formula C63H84N18O7 and a molecular weight of 1205.48 g/mol. Its IUPAC name is 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 159952738
• Molecular Formula: C63H84N18O7
• Molecular Weight: 1205.48 g/mol
• Exact Mass: 1204.68
• IUPAC Name: 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC1CCCCC1Nc1c(C(N)=O)cnn2cc([N+](=O)[O-])cc12.CC1CCCCC1Nc1c(C(N)=O)cnn2cccc12.CCC(=O)N1CCC(C)C(Nc2c(C(N)=O)cnn3cccc23)C1.Cc1ccc2c(NC3CCCCC3C)c(C(N)=O)cnn12
• InChI: InChI=1S/C17H23N5O2.C16H22N4O.C15H19N5O3.C15H20N4O/c1-3-15(23)21-8-6-11(2)13(10-21)20-16-12(17(18)24)9-19-22-7-4-5-14(16)22;1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;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;1-10-5-2-3-6-12(10)18-14-11(15(16)20)9-17-19-8-4-7-13(14)19/h4-5,7,9,11,13,20H,3,6,8,10H2,1-2H3,(H2,18,24);7-10,13,19H,3-6H2,1-2H3,(H2,17,21);6-9,12,18H,2-5H2,1H3,(H2,16,21);4,7-10,12,18H,2-3,5-6H2,1H3,(H2,16,20)
• InChIKey: OCHXFPCSTZNLEO-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 353.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1205.48
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'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 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 159952738) is 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1CCCCC1Nc1c(C(N)=O)cnn2cc([N+](=O)[O-])cc12.CC1CCCCC1Nc1c(C(N)=O)cnn2cccc12.CCC(=O)N1CCC(C)C(Nc2c(C(N)=O)cnn3cccc23)C1.Cc1ccc2c(NC3CCCCC3C)c(C(N)=O)cnn12.

What is the InChIKey of 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is OCHXFPCSTZNLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.C16H22N4O.C15H19N5O3.C15H20N4O/c1-3-15(23)21-8-6-11(2)13(10-21)20-16-12(17(18)24)9-19-22-7-4-5-14(16)22;1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;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;1-10-5-2-3-6-12(10)18-14-11(15(16)20)9-17-19-8-4-7-13(14)19/h4-5,7,9,11,13,20H,3,6,8,10H2,1-2H3,(H2,18,24);7-10,13,19H,3-6H2,1-2H3,(H2,17,21);6-9,12,18H,2-5H2,1H3,(H2,16,21);4,7-10,12,18H,2-3,5-6H2,1H3,(H2,16,20).

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

4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1205.48 g/mol, XLogP of 8.98, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methylcyclohexyl)amino]-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methyl-1-propanoylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 159952738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).