N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid

C49H56Cl2N12O3 — CID 161408981

About N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid

N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid (PubChem CID 161408981) has the molecular formula C49H56Cl2N12O3 and a molecular weight of 931.97 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid.

Molecular Properties

• Compound Name: N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid
• PubChem CID: 161408981
• Molecular Formula: C49H56Cl2N12O3
• Molecular Weight: 931.97 g/mol
• Exact Mass: 930.40
• IUPAC Name: N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)cnn1.Cc1ccc(N)c(NC2CC2)c1.Cc1ccc(NC(=O)c2cnnc(C)c2)c(NC2CC2)c1.Cc1ccc2nc(-c3cnnc(C)c3)n(C3CC3)c2c1.ClCCl
• InChI: InChI=1S/C16H18N4O.C16H16N4.C10H14N2.C6H6N2O2.CH2Cl2/c1-10-3-6-14(15(7-10)18-13-4-5-13)19-16(21)12-8-11(2)20-17-9-12;1-10-3-6-14-15(7-10)20(13-4-5-13)16(18-14)12-8-11(2)19-17-9-12;1-7-2-5-9(11)10(6-7)12-8-3-4-8;1-4-2-5(6(9)10)3-7-8-4;2-1-3/h3,6-9,13,18H,4-5H2,1-2H3,(H,19,21);3,6-9,13H,4-5H2,1-2H3;2,5-6,8,12H,3-4,11H2,1H3;2-3H,1H3,(H,9,10);1H2
• InChIKey: VVFKVSRUYSSFHO-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 211.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.97
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid?

The IUPAC name of N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid (CID 161408981) is N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid.

What is the SMILES notation for N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid?

The canonical SMILES for N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid is Cc1cc(C(=O)O)cnn1.Cc1ccc(N)c(NC2CC2)c1.Cc1ccc(NC(=O)c2cnnc(C)c2)c(NC2CC2)c1.Cc1ccc2nc(-c3cnnc(C)c3)n(C3CC3)c2c1.ClCCl.

What is the InChIKey of N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid?

The InChIKey is VVFKVSRUYSSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.C16H16N4.C10H14N2.C6H6N2O2.CH2Cl2/c1-10-3-6-14(15(7-10)18-13-4-5-13)19-16(21)12-8-11(2)20-17-9-12;1-10-3-6-14-15(7-10)20(13-4-5-13)16(18-14)12-8-11(2)19-17-9-12;1-7-2-5-9(11)10(6-7)12-8-3-4-8;1-4-2-5(6(9)10)3-7-8-4;2-1-3/h3,6-9,13,18H,4-5H2,1-2H3,(H,19,21);3,6-9,13H,4-5H2,1-2H3;2,5-6,8,12H,3-4,11H2,1H3;2-3H,1H3,(H,9,10);1H2.

What are the key properties of N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid?

N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid has a molecular weight of 931.97 g/mol, XLogP of 10.42, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopropylamino)-4-methylphenyl]-6-methylpyridazine-4-carboxamide;2-N-cyclopropyl-4-methylbenzene-1,2-diamine;1-cyclopropyl-6-methyl-2-(6-methylpyridazin-4-yl)benzimidazole;dichloromethane;6-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 161408981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).