potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide

C45H51F2KN17O5- — CID 159132616

About potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide

potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide (PubChem CID 159132616) has the molecular formula C45H51F2KN17O5- and a molecular weight of 987.11 g/mol. Its IUPAC name is potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide.

Molecular Properties

• Compound Name: potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide
• PubChem CID: 159132616
• Molecular Formula: C45H51F2KN17O5-
• Molecular Weight: 987.11 g/mol
• Exact Mass: 986.39
• IUPAC Name: potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide
• SMILES: CC(C)(C)c1nc([C-]=O)no1.Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)c(F)cc1CCC(=O)c1noc(C(C)(C)C)n1.Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)c(F)cc1CN.[K+].[OH-]
• InChI: InChI=1S/C23H25FN8O2.C15H16FN7.C7H9N2O2.K.H2O/c1-13-8-16(19-25-12-26-22(30-19)28-15-10-27-32(5)11-15)17(24)9-14(13)6-7-18(33)20-29-21(34-31-20)23(2,3)4;1-9-3-12(13(16)4-10(9)5-17)14-18-8-19-15(22-14)21-11-6-20-23(2)7-11;1-7(2,3)6-8-5(4-10)9-11-6;;/h8-12H,6-7H2,1-5H3,(H,25,26,28,30);3-4,6-8H,5,17H2,1-2H3,(H,18,19,21,22);1-3H3;;1H2/q;;-1;+1;/p-1
• InChIKey: PYTVLHADHNKRBH-UHFFFAOYSA-M
• XLogP: 3.53
• TPSA: 305.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.11
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide?

The IUPAC name of potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide (CID 159132616) is potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide.

What is the SMILES notation for potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide?

The canonical SMILES for potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide is CC(C)(C)c1nc([C-]=O)no1.Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)c(F)cc1CCC(=O)c1noc(C(C)(C)C)n1.Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)c(F)cc1CN.[K+].[OH-].

What is the InChIKey of potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide?

The InChIKey is PYTVLHADHNKRBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25FN8O2.C15H16FN7.C7H9N2O2.K.H2O/c1-13-8-16(19-25-12-26-22(30-19)28-15-10-27-32(5)11-15)17(24)9-14(13)6-7-18(33)20-29-21(34-31-20)23(2,3)4;1-9-3-12(13(16)4-10(9)5-17)14-18-8-19-15(22-14)21-11-6-20-23(2)7-11;1-7(2,3)6-8-5(4-10)9-11-6;;/h8-12H,6-7H2,1-5H3,(H,25,26,28,30);3-4,6-8H,5,17H2,1-2H3,(H,18,19,21,22);1-3H3;;1H2/q;;-1;+1;/p-1.

What are the key properties of potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide?

potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide has a molecular weight of 987.11 g/mol, XLogP of 3.53, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-[4-(aminomethyl)-2-fluoro-5-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[5-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanone;hydroxide is sourced from PubChem (CID 159132616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).