7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane

C64H46Cl4F19N19 — CID 158400581

About 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane

7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane (PubChem CID 158400581) has the molecular formula C64H46Cl4F19N19 and a molecular weight of 1583.98 g/mol. Its IUPAC name is 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane.

Molecular Properties

• Compound Name: 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane
• PubChem CID: 158400581
• Molecular Formula: C64H46Cl4F19N19
• Molecular Weight: 1583.98 g/mol
• Exact Mass: 1581.26
• IUPAC Name: 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane
• SMILES: C.CC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccnc12.CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nncnc12)C(F)(F)F.Cc1cc(F)c(-c2c(Cl)nc3nncnc3c2N[C@@H](C)C(F)(F)F)c(F)c1.Cc1cc(F)c(-c2c(Cl)nc3nncnc3c2N[C@H](C)C(F)(F)F)c(F)c1
• InChI: InChI=1S/2C16H11ClF5N5.C16H12ClF3N4.C15H8ClF6N5.CH4/c2*1-6-3-8(18)10(9(19)4-6)11-12(25-7(2)16(20,21)22)13-15(26-14(11)17)27-24-5-23-13;1-7(2)23-13-12(11-9(19)5-8(18)6-10(11)20)15(17)24-16-14(13)21-3-4-22-16;1-5(15(20,21)22)25-11-10(9-7(18)2-6(17)3-8(9)19)13(16)26-14-12(11)23-4-24-27-14;/h2*3-5,7H,1-2H3,(H,25,26,27);3-7H,1-2H3,(H,22,23,24);2-5H,1H3,(H,25,26,27);1H4/t2*7-;;;/m10.../s1
• InChIKey: GYBAUQLRTUPUFJ-RJRQEHNHSA-N
• XLogP: 19.12
• TPSA: 241.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.98
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane?

The IUPAC name of 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane (CID 158400581) is 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane.

What is the SMILES notation for 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane?

The canonical SMILES for 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane is C.CC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccnc12.CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nncnc12)C(F)(F)F.Cc1cc(F)c(-c2c(Cl)nc3nncnc3c2N[C@@H](C)C(F)(F)F)c(F)c1.Cc1cc(F)c(-c2c(Cl)nc3nncnc3c2N[C@H](C)C(F)(F)F)c(F)c1.

What is the InChIKey of 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane?

The InChIKey is GYBAUQLRTUPUFJ-RJRQEHNHSA-N. The full InChI is InChI=1S/2C16H11ClF5N5.C16H12ClF3N4.C15H8ClF6N5.CH4/c2*1-6-3-8(18)10(9(19)4-6)11-12(25-7(2)16(20,21)22)13-15(26-14(11)17)27-24-5-23-13;1-7(2)23-13-12(11-9(19)5-8(18)6-10(11)20)15(17)24-16-14(13)21-3-4-22-16;1-5(15(20,21)22)25-11-10(9-7(18)2-6(17)3-8(9)19)13(16)26-14-12(11)23-4-24-27-14;/h2*3-5,7H,1-2H3,(H,25,26,27);3-7H,1-2H3,(H,22,23,24);2-5H,1H3,(H,25,26,27);1H4/t2*7-;;;/m10.../s1.

What are the key properties of 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane?

7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane has a molecular weight of 1583.98 g/mol, XLogP of 19.12, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;7-chloro-6-(2,6-difluoro-4-methylphenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[3,2-e][1,2,4]triazin-5-amine;6-chloro-N-propan-2-yl-7-(2,4,6-trifluorophenyl)pyrido[2,3-b]pyrazin-8-amine;7-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrido[3,2-e][1,2,4]triazin-5-amine;methane is sourced from PubChem (CID 158400581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).