3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C₁₀₉H₁₃₀Cl₂N₃₂O₁₁ — CID 159968851

About 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 159968851) has the molecular formula C₁₀₉H₁₃₀Cl₂N₃₂O₁₁ and a molecular weight of 2135.36 g/mol. Its IUPAC name is 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 159968851
• Molecular Formula: C₁₀₉H₁₃₀Cl₂N₃₂O₁₁
• Molecular Weight: 2135.36 g/mol
• Exact Mass: 2133.00
• IUPAC Name: 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: NC(=O)c1cnn2cccc2c1NC1CCC(O)CC1.NC(=O)c1cnn2cccc2c1NC1CCCC(O)C1.NC(=O)c1cnn2cccc2c1NCC1CCCO1.NC1CCCC(O)C1.NCC1CCCO1.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1NC1CCC(O)CC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCC(O)C1.[C-]#[N+]c1cnn2cccc2c1NCC1CCCO1
• InChI: InChI=1S/2C14H18N4O2.2C14H16N4O.C13H16N4O2.C13H14N4O.2C8H4ClN3.C6H13NO.C5H11NO/c15-14(20)11-8-16-18-6-2-5-12(18)13(11)17-9-3-1-4-10(19)7-9;15-14(20)11-8-16-18-7-1-2-12(18)13(11)17-9-3-5-10(19)6-4-9;1-15-12-9-16-18-7-3-6-13(18)14(12)17-10-4-2-5-11(19)8-10;1-15-12-9-16-18-8-2-3-13(18)14(12)17-10-4-6-11(19)7-5-10;14-13(18)10-8-16-17-5-1-4-11(17)12(10)15-7-9-3-2-6-19-9;1-14-11-9-16-17-6-2-5-12(17)13(11)15-8-10-4-3-7-18-10;2*1-10-6-5-11-12-4-2-3-7(12)8(6)9;7-5-2-1-3-6(8)4-5;6-4-5-2-1-3-7-5/h2,5-6,8-10,17,19H,1,3-4,7H2,(H2,15,20);1-2,7-10,17,19H,3-6H2,(H2,15,20);3,6-7,9-11,17,19H,2,4-5,8H2;2-3,8-11,17,19H,4-7H2;1,4-5,8-9,15H,2-3,6-7H2,(H2,14,18);2,5-6,9-10,15H,3-4,7-8H2;2*2-5H;5-6,8H,1-4,7H2;5H,1-4,6H2
• InChIKey: OEGVQZHZCSMCSG-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 542.53 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2135.36
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 159968851) is 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cccc2c1NC1CCC(O)CC1.NC(=O)c1cnn2cccc2c1NC1CCCC(O)C1.NC(=O)c1cnn2cccc2c1NCC1CCCO1.NC1CCCC(O)C1.NCC1CCCO1.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1NC1CCC(O)CC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCC(O)C1.[C-]#[N+]c1cnn2cccc2c1NCC1CCCO1.

What is the InChIKey of 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is OEGVQZHZCSMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N4O2.2C14H16N4O.C13H16N4O2.C13H14N4O.2C8H4ClN3.C6H13NO.C5H11NO/c15-14(20)11-8-16-18-6-2-5-12(18)13(11)17-9-3-1-4-10(19)7-9;15-14(20)11-8-16-18-7-1-2-12(18)13(11)17-9-3-5-10(19)6-4-9;1-15-12-9-16-18-7-3-6-13(18)14(12)17-10-4-2-5-11(19)8-10;1-15-12-9-16-18-8-2-3-13(18)14(12)17-10-4-6-11(19)7-5-10;14-13(18)10-8-16-17-5-1-4-11(17)12(10)15-7-9-3-2-6-19-9;1-14-11-9-16-17-6-2-5-12(17)13(11)15-8-10-4-3-7-18-10;2*1-10-6-5-11-12-4-2-3-7(12)8(6)9;7-5-2-1-3-6(8)4-5;6-4-5-2-1-3-7-5/h2,5-6,8-10,17,19H,1,3-4,7H2,(H2,15,20);1-2,7-10,17,19H,3-6H2,(H2,15,20);3,6-7,9-11,17,19H,2,4-5,8H2;2-3,8-11,17,19H,4-7H2;1,4-5,8-9,15H,2-3,6-7H2,(H2,14,18);2,5-6,9-10,15H,3-4,7-8H2;2*2-5H;5-6,8H,1-4,7H2;5H,1-4,6H2.

What are the key properties of 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?

3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 2135.36 g/mol, XLogP of 16.45, 18 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminocyclohexan-1-ol;bis(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);4-[(3-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;oxolan-2-ylmethanamine;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 159968851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159968851 — identifiers, structure, computed properties (public domain)

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