6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate

C94H103Cl2N37O21 — CID 158408371

About 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate

6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate (PubChem CID 158408371) has the molecular formula C94H103Cl2N37O21 and a molecular weight of 2158.00 g/mol. Its IUPAC name is 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate.

Molecular Properties

• Compound Name: 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate
• PubChem CID: 158408371
• Molecular Formula: C94H103Cl2N37O21
• Molecular Weight: 2158.00 g/mol
• Exact Mass: 2155.75
• IUPAC Name: 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate
• SMILES: N.N.NC(=O)c1cnn2cc(N)cc2c1NC1CCCC1.NC(=O)c1cnn2cc([N+](=O)[O-])cc2c1NC1CCCC1.NC(=O)c1cnn2cc([N+](=O)[O-])cc2c1Nc1ccccc1.NC1CCCC1.Nc1ccccc1.O.O.OO.OO.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1NC1CCCC1.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Nc1ccccc1
• InChI: InChI=1S/C14H11N5O3.C14H9N5O2.C13H15N5O3.C13H13N5O2.C13H17N5O.2C8H3ClN4O2.C6H7N.C5H11N.2H3N.2H2O2.2H2O/c15-14(20)11-7-16-18-8-10(19(21)22)6-12(18)13(11)17-9-4-2-1-3-5-9;1-15-12-8-16-18-9-11(19(20)21)7-13(18)14(12)17-10-5-3-2-4-6-10;14-13(19)10-6-15-17-7-9(18(20)21)5-11(17)12(10)16-8-3-1-2-4-8;1-14-11-7-15-17-8-10(18(19)20)6-12(17)13(11)16-9-4-2-3-5-9;14-8-5-11-12(17-9-3-1-2-4-9)10(13(15)19)6-16-18(11)7-8;2*1-10-6-3-11-12-4-5(13(14)15)2-7(12)8(6)9;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5;;;2*1-2;;/h1-8,17H,(H2,15,20);2-9,17H;5-8,16H,1-4H2,(H2,14,19);6-9,16H,2-5H2;5-7,9,17H,1-4,14H2,(H2,15,19);2*2-4H;1-5H,7H2;5H,1-4,6H2;2*1H3;2*1-2H;2*1H2
• InChIKey: DZUILEKLXQKJKP-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 878.78 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2158.00
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate?

The IUPAC name of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate (CID 158408371) is 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate.

What is the SMILES notation for 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate?

The canonical SMILES for 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate is N.N.NC(=O)c1cnn2cc(N)cc2c1NC1CCCC1.NC(=O)c1cnn2cc([N+](=O)[O-])cc2c1NC1CCCC1.NC(=O)c1cnn2cc([N+](=O)[O-])cc2c1Nc1ccccc1.NC1CCCC1.Nc1ccccc1.O.O.OO.OO.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Cl.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1NC1CCCC1.[C-]#[N+]c1cnn2cc([N+](=O)[O-])cc2c1Nc1ccccc1.

What is the InChIKey of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate?

The InChIKey is DZUILEKLXQKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3.C14H9N5O2.C13H15N5O3.C13H13N5O2.C13H17N5O.2C8H3ClN4O2.C6H7N.C5H11N.2H3N.2H2O2.2H2O/c15-14(20)11-7-16-18-8-10(19(21)22)6-12(18)13(11)17-9-4-2-1-3-5-9;1-15-12-8-16-18-9-11(19(20)21)7-13(18)14(12)17-10-5-3-2-4-6-10;14-13(19)10-6-15-17-7-9(18(20)21)5-11(17)12(10)16-8-3-1-2-4-8;1-14-11-7-15-17-8-10(18(19)20)6-12(17)13(11)16-9-4-2-3-5-9;14-8-5-11-12(17-9-3-1-2-4-9)10(13(15)19)6-16-18(11)7-8;2*1-10-6-3-11-12-4-5(13(14)15)2-7(12)8(6)9;7-6-4-2-1-3-5-6;6-5-3-1-2-4-5;;;2*1-2;;/h1-8,17H,(H2,15,20);2-9,17H;5-8,16H,1-4H2,(H2,14,19);6-9,16H,2-5H2;5-7,9,17H,1-4,14H2,(H2,15,19);2*2-4H;1-5H,7H2;5H,1-4,6H2;2*1H3;2*1-2H;2*1H2.

What are the key properties of 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate?

6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate has a molecular weight of 2158.00 g/mol, XLogP of 17.59, 19 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;aniline;4-anilino-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;azane;bis(4-chloro-3-isocyano-6-nitropyrrolo[1,2-b]pyridazine);cyclopentanamine;4-(cyclopentylamino)-6-nitropyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyano-6-nitropyrrolo[1,2-b]pyridazin-4-amine;hydrogen peroxide;3-isocyano-6-nitro-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;dihydrate is sourced from PubChem (CID 158408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).