aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine

C111H115Cl3N32O2 — CID 160724395

About aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine

aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine (PubChem CID 160724395) has the molecular formula C111H115Cl3N32O2 and a molecular weight of 2035.72 g/mol. Its IUPAC name is aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine.

Molecular Properties

• Compound Name: aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine
• PubChem CID: 160724395
• Molecular Formula: C111H115Cl3N32O2
• Molecular Weight: 2035.72 g/mol
• Exact Mass: 2032.89
• IUPAC Name: aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine
• SMILES: NC(=O)c1cnn2cccc2c1NC1CCCC1.NC(=O)c1cnn2cccc2c1Nc1ccccc1.NC1CCCC1.NC1CCCCCC1.Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1NC1CCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCCC1.[C-]#[N+]c1cnn2cccc2c1Nc1ccccc1
• InChI: InChI=1S/C15H18N4.C14H12N4O.C14H10N4.C13H16N4O.C13H14N4.3C8H4ClN3.C7H15N.C6H7N.C5H11N/c1-16-13-11-17-19-10-6-9-14(19)15(13)18-12-7-4-2-3-5-8-12;15-14(19)11-9-16-18-8-4-7-12(18)13(11)17-10-5-2-1-3-6-10;1-15-12-10-16-18-9-5-8-13(18)14(12)17-11-6-3-2-4-7-11;14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9;1-14-11-9-15-17-8-4-7-12(17)13(11)16-10-5-2-3-6-10;3*1-10-6-5-11-12-4-2-3-7(12)8(6)9;8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5/h6,9-12,18H,2-5,7-8H2;1-9,17H,(H2,15,19);2-10,17H;3,6-9,16H,1-2,4-5H2,(H2,14,18);4,7-10,16H,2-3,5-6H2;3*2-5H;7H,1-6,8H2;1-5H,7H2;5H,1-4,6H2
• InChIKey: RTNCFBDTBAYOPR-UHFFFAOYSA-N
• XLogP: 26.29
• TPSA: 388.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.72
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine?

The IUPAC name of aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine (CID 160724395) is aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine.

What is the SMILES notation for aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine?

The canonical SMILES for aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine is NC(=O)c1cnn2cccc2c1NC1CCCC1.NC(=O)c1cnn2cccc2c1Nc1ccccc1.NC1CCCC1.NC1CCCCCC1.Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1Cl.[C-]#[N+]c1cnn2cccc2c1NC1CCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCCC1.[C-]#[N+]c1cnn2cccc2c1Nc1ccccc1.

What is the InChIKey of aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine?

The InChIKey is RTNCFBDTBAYOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4.C14H12N4O.C14H10N4.C13H16N4O.C13H14N4.3C8H4ClN3.C7H15N.C6H7N.C5H11N/c1-16-13-11-17-19-10-6-9-14(19)15(13)18-12-7-4-2-3-5-8-12;15-14(19)11-9-16-18-8-4-7-12(18)13(11)17-10-5-2-1-3-6-10;1-15-12-10-16-18-9-5-8-13(18)14(12)17-11-6-3-2-4-7-11;14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9;1-14-11-9-15-17-8-4-7-12(17)13(11)16-10-5-2-3-6-10;3*1-10-6-5-11-12-4-2-3-7(12)8(6)9;8-7-5-3-1-2-4-6-7;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5/h6,9-12,18H,2-5,7-8H2;1-9,17H,(H2,15,19);2-10,17H;3,6-9,16H,1-2,4-5H2,(H2,14,18);4,7-10,16H,2-3,5-6H2;3*2-5H;7H,1-6,8H2;1-5H,7H2;5H,1-4,6H2.

What are the key properties of aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine?

aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine has a molecular weight of 2035.72 g/mol, XLogP of 26.29, 12 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;tris(4-chloro-3-isocyanopyrrolo[1,2-b]pyridazine);cycloheptanamine;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;cyclopentanamine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine is sourced from PubChem (CID 160724395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).