cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine

C73H85F5N18O8 — CID 162256027

About cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine

cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine (PubChem CID 162256027) has the molecular formula C73H85F5N18O8 and a molecular weight of 1437.59 g/mol. Its IUPAC name is cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine.

Molecular Properties

• Compound Name: cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine
• PubChem CID: 162256027
• Molecular Formula: C73H85F5N18O8
• Molecular Weight: 1437.59 g/mol
• Exact Mass: 1436.67
• IUPAC Name: cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine
• SMILES: CCCNc1ccccc1N.CCCn1c(-c2cnnc(C(F)F)c2)nc2ccccc21.CO.Cc1cc(C(=O)O)cnn1.NC1CC1.Nc1ccccc1NC1CC1.O=C(Nc1ccccc1NC1CC1)c1cnnc(C(F)F)c1.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1CC1
• InChI: InChI=1S/C15H14F2N4O.C15H14F2N4.C9H10N2O2.C9H12N2.C9H14N2.C6H4FNO2.C6H6N2O2.C3H7N.CH4O/c16-14(17)13-7-9(8-18-21-13)15(22)20-12-4-2-1-3-11(12)19-10-5-6-10;1-2-7-21-13-6-4-3-5-11(13)19-15(21)10-8-12(14(16)17)20-18-9-10;12-11(13)9-4-2-1-3-8(9)10-7-5-6-7;10-8-3-1-2-4-9(8)11-7-5-6-7;1-2-7-11-9-6-4-3-5-8(9)10;7-5-3-1-2-4-6(5)8(9)10;1-4-2-5(6(9)10)3-7-8-4;4-3-1-2-3;1-2/h1-4,7-8,10,14,19H,5-6H2,(H,20,22);3-6,8-9,14H,2,7H2,1H3;1-4,7,10H,5-6H2;1-4,7,11H,5-6,10H2;3-6,11H,2,7,10H2,1H3;1-4H;2-3H,1H3,(H,9,10);3H,1-2,4H2;2H,1H3
• InChIKey: ZYPLJHPAZJJOON-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 394.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1437.59
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine?

The IUPAC name of cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine (CID 162256027) is cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine.

What is the SMILES notation for cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine?

The canonical SMILES for cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine is CCCNc1ccccc1N.CCCn1c(-c2cnnc(C(F)F)c2)nc2ccccc21.CO.Cc1cc(C(=O)O)cnn1.NC1CC1.Nc1ccccc1NC1CC1.O=C(Nc1ccccc1NC1CC1)c1cnnc(C(F)F)c1.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1CC1.

What is the InChIKey of cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine?

The InChIKey is ZYPLJHPAZJJOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O.C15H14F2N4.C9H10N2O2.C9H12N2.C9H14N2.C6H4FNO2.C6H6N2O2.C3H7N.CH4O/c16-14(17)13-7-9(8-18-21-13)15(22)20-12-4-2-1-3-11(12)19-10-5-6-10;1-2-7-21-13-6-4-3-5-11(13)19-15(21)10-8-12(14(16)17)20-18-9-10;12-11(13)9-4-2-1-3-8(9)10-7-5-6-7;10-8-3-1-2-4-9(8)11-7-5-6-7;1-2-7-11-9-6-4-3-5-8(9)10;7-5-3-1-2-4-6(5)8(9)10;1-4-2-5(6(9)10)3-7-8-4;4-3-1-2-3;1-2/h1-4,7-8,10,14,19H,5-6H2,(H,20,22);3-6,8-9,14H,2,7H2,1H3;1-4,7,10H,5-6H2;1-4,7,11H,5-6,10H2;3-6,11H,2,7,10H2,1H3;1-4H;2-3H,1H3,(H,9,10);3H,1-2,4H2;2H,1H3.

What are the key properties of cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine?

cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine has a molecular weight of 1437.59 g/mol, XLogP of 15.12, 19 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanamine;N-[2-(cyclopropylamino)phenyl]-6-(difluoromethyl)pyridazine-4-carboxamide;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;2-[6-(difluoromethyl)pyridazin-4-yl]-1-propylbenzimidazole;1-fluoro-2-nitrobenzene;methanol;6-methylpyridazine-4-carboxylic acid;2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 162256027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).