6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide

C99H129N35O18 — CID 158377410

About 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide

6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide (PubChem CID 158377410) has the molecular formula C99H129N35O18 and a molecular weight of 2097.35 g/mol. Its IUPAC name is 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide.

Molecular Properties

• Compound Name: 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide
• PubChem CID: 158377410
• Molecular Formula: C99H129N35O18
• Molecular Weight: 2097.35 g/mol
• Exact Mass: 2096.03
• IUPAC Name: 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide
• SMILES: N#CCC(=O)C[C@H]1CCCC[C@@H]1Nc1c(C(N)=NO)cnn2cc(N)cc12.NC(=NO)c1cnn2cccc2c1NC1CCCC(O)C1.NC(=NO)c1cnn2cccc2c1NCC1OCC(O)C1O.NC(=O)c1cnn2cccc2c1NC1CCCC(O)C1.NC(=O)c1cnn2cccc2c1NCC1OCC(O)C1O.[H]/N=C(\N)c1cnn2cccc2c1NC1CCCC(O)C1.[H]/N=C(\N)c1cnn2cccc2c1NCC1OCC(O)C1O
• InChI: InChI=1S/C18H23N7O2.C14H19N5O2.C14H19N5O.C14H18N4O2.C13H17N5O4.C13H17N5O3.C13H16N4O4/c19-6-5-13(26)7-11-3-1-2-4-15(11)23-17-14(18(21)24-27)9-22-25-10-12(20)8-16(17)25;15-14(18-21)11-8-16-19-6-2-5-12(19)13(11)17-9-3-1-4-10(20)7-9;15-14(16)11-8-17-19-6-2-5-12(19)13(11)18-9-3-1-4-10(20)7-9;15-14(20)11-8-16-18-6-2-5-12(18)13(11)17-9-3-1-4-10(19)7-9;14-13(17-21)7-4-16-18-3-1-2-8(18)11(7)15-5-10-12(20)9(19)6-22-10;14-13(15)7-4-17-18-3-1-2-8(18)11(7)16-5-10-12(20)9(19)6-21-10;14-13(20)7-4-16-17-3-1-2-8(17)11(7)15-5-10-12(19)9(18)6-21-10/h8-11,15,23,27H,1-5,7,20H2,(H2,21,24);2,5-6,8-10,17,20-21H,1,3-4,7H2,(H2,15,18);2,5-6,8-10,18,20H,1,3-4,7H2,(H3,15,16);2,5-6,8-10,17,19H,1,3-4,7H2,(H2,15,20);1-4,9-10,12,15,19-21H,5-6H2,(H2,14,17);1-4,9-10,12,16,19-20H,5-6H2,(H3,14,15);1-4,9-10,12,15,18-19H,5-6H2,(H2,14,20)/t11-,15+;;;;;;/m1....../s1
• InChIKey: GVJHIUAUGVDHRY-KWTQNQLSSA-N
• XLogP: 2.56
• TPSA: 843.70 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 46
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2097.35
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide?

The IUPAC name of 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide (CID 158377410) is 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide.

What is the SMILES notation for 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide?

The canonical SMILES for 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide is N#CCC(=O)C[C@H]1CCCC[C@@H]1Nc1c(C(N)=NO)cnn2cc(N)cc12.NC(=NO)c1cnn2cccc2c1NC1CCCC(O)C1.NC(=NO)c1cnn2cccc2c1NCC1OCC(O)C1O.NC(=O)c1cnn2cccc2c1NC1CCCC(O)C1.NC(=O)c1cnn2cccc2c1NCC1OCC(O)C1O.[H]/N=C(\N)c1cnn2cccc2c1NC1CCCC(O)C1.[H]/N=C(\N)c1cnn2cccc2c1NCC1OCC(O)C1O.

What is the InChIKey of 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide?

The InChIKey is GVJHIUAUGVDHRY-KWTQNQLSSA-N. The full InChI is InChI=1S/C18H23N7O2.C14H19N5O2.C14H19N5O.C14H18N4O2.C13H17N5O4.C13H17N5O3.C13H16N4O4/c19-6-5-13(26)7-11-3-1-2-4-15(11)23-17-14(18(21)24-27)9-22-25-10-12(20)8-16(17)25;15-14(18-21)11-8-16-19-6-2-5-12(19)13(11)17-9-3-1-4-10(20)7-9;15-14(16)11-8-17-19-6-2-5-12(19)13(11)18-9-3-1-4-10(20)7-9;15-14(20)11-8-16-18-6-2-5-12(18)13(11)17-9-3-1-4-10(19)7-9;14-13(17-21)7-4-16-18-3-1-2-8(18)11(7)15-5-10-12(20)9(19)6-22-10;14-13(15)7-4-17-18-3-1-2-8(18)11(7)16-5-10-12(20)9(19)6-21-10;14-13(20)7-4-16-17-3-1-2-8(17)11(7)15-5-10-12(19)9(18)6-21-10/h8-11,15,23,27H,1-5,7,20H2,(H2,21,24);2,5-6,8-10,17,20-21H,1,3-4,7H2,(H2,15,18);2,5-6,8-10,18,20H,1,3-4,7H2,(H3,15,16);2,5-6,8-10,17,19H,1,3-4,7H2,(H2,15,20);1-4,9-10,12,15,19-21H,5-6H2,(H2,14,17);1-4,9-10,12,16,19-20H,5-6H2,(H3,14,15);1-4,9-10,12,15,18-19H,5-6H2,(H2,14,20)/t11-,15+;;;;;;/m1....../s1.

What are the key properties of 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide?

6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide has a molecular weight of 2097.35 g/mol, XLogP of 2.56, 27 rotatable bonds, 29 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[[(1S,2R)-2-(3-cyano-2-oxopropyl)cyclohexyl]amino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]-N'-hydroxypyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3,4-dihydroxyoxolan-2-yl)methylamino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide;N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboximidamide is sourced from PubChem (CID 158377410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).