2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane

C58H60Cl3F9N20O2 — CID 161188674

About 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane

2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 161188674) has the molecular formula C58H60Cl3F9N20O2 and a molecular weight of 1346.60 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane
• PubChem CID: 161188674
• Molecular Formula: C58H60Cl3F9N20O2
• Molecular Weight: 1346.60 g/mol
• Exact Mass: 1344.41
• IUPAC Name: 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane
• SMILES: C1O[C@H]2CN[C@@H]1C2.C[C@@H](N)c1cc(N)cc(C(F)(F)F)n1.Cc1nnc(Cl)c2cc(Cl)ncc12.Cc1nnc(N[C@H](C)c2cc(N)cc(C(F)(F)F)n2)c2cc(Cl)ncc12.Cc1nnc(N[C@H](C)c2cc(N)cc(C(F)(F)F)n2)c2cc(N3C[C@H]4C[C@@H]3CO4)ncc12
• InChI: InChI=1S/C21H22F3N7O.C16H14ClF3N6.C8H5Cl2N3.C8H10F3N3.C5H9NO/c1-10-16-7-26-19(31-8-14-5-13(31)9-32-14)6-15(16)20(30-29-10)27-11(2)17-3-12(25)4-18(28-17)21(22,23)24;1-7-11-6-22-14(17)5-10(11)15(26-25-7)23-8(2)12-3-9(21)4-13(24-12)16(18,19)20;1-4-6-3-11-7(9)2-5(6)8(10)13-12-4;1-4(12)6-2-5(13)3-7(14-6)8(9,10)11;1-4-3-7-5(1)2-6-4/h3-4,6-7,11,13-14H,5,8-9H2,1-2H3,(H2,25,28)(H,27,30);3-6,8H,1-2H3,(H2,21,24)(H,23,26);2-3H,1H3;2-4H,12H2,1H3,(H2,13,14);4-6H,1-3H2/t11-,13-,14-;8-;;4-;4-,5-/m11.11/s1
• InChIKey: UTKSWAMESRUDQP-AVJQFDKLSA-N
• XLogP: 11.72
• TPSA: 316.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1346.60
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane?

The IUPAC name of 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 161188674) is 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane.

What is the SMILES notation for 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane?

The canonical SMILES for 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane is C1O[C@H]2CN[C@@H]1C2.C[C@@H](N)c1cc(N)cc(C(F)(F)F)n1.Cc1nnc(Cl)c2cc(Cl)ncc12.Cc1nnc(N[C@H](C)c2cc(N)cc(C(F)(F)F)n2)c2cc(Cl)ncc12.Cc1nnc(N[C@H](C)c2cc(N)cc(C(F)(F)F)n2)c2cc(N3C[C@H]4C[C@@H]3CO4)ncc12.

What is the InChIKey of 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane?

The InChIKey is UTKSWAMESRUDQP-AVJQFDKLSA-N. The full InChI is InChI=1S/C21H22F3N7O.C16H14ClF3N6.C8H5Cl2N3.C8H10F3N3.C5H9NO/c1-10-16-7-26-19(31-8-14-5-13(31)9-32-14)6-15(16)20(30-29-10)27-11(2)17-3-12(25)4-18(28-17)21(22,23)24;1-7-11-6-22-14(17)5-10(11)15(26-25-7)23-8(2)12-3-9(21)4-13(24-12)16(18,19)20;1-4-6-3-11-7(9)2-5(6)8(10)13-12-4;1-4(12)6-2-5(13)3-7(14-6)8(9,10)11;1-4-3-7-5(1)2-6-4/h3-4,6-7,11,13-14H,5,8-9H2,1-2H3,(H2,25,28)(H,27,30);3-6,8H,1-2H3,(H2,21,24)(H,23,26);2-3H,1H3;2-4H,12H2,1H3,(H2,13,14);4-6H,1-3H2/t11-,13-,14-;8-;;4-;4-,5-/m11.11/s1.

What are the key properties of 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane?

2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 1346.60 g/mol, XLogP of 11.72, 8 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-aminoethyl]-6-(trifluoromethyl)pyridin-4-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-7-chloro-4-methylpyrido[3,4-d]pyridazin-1-amine;N-[(1R)-1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethyl]-4-methyl-7-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrido[3,4-d]pyridazin-1-amine;1,7-dichloro-4-methylpyrido[3,4-d]pyridazine;(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 161188674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).