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

C43H45Cl2F2KN17O5- — CID 158501013

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

potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide (PubChem CID 158501013) has the molecular formula C43H45Cl2F2KN17O5- and a molecular weight of 1027.95 g/mol. Its IUPAC name is potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide.

Molecular Properties

• Compound Name: potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide
• PubChem CID: 158501013
• Molecular Formula: C43H45Cl2F2KN17O5-
• Molecular Weight: 1027.95 g/mol
• Exact Mass: 1026.28
• IUPAC Name: potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide
• SMILES: CC(C)(C)c1noc([C-]=O)n1.Cn1ccc(Nc2ncnc(-c3ccc(CCC(=O)c4nc(C(C)(C)C)no4)c(Cl)c3F)n2)n1.Cn1ccc(Nc2ncnc(-c3ccc(CN)c(Cl)c3F)n2)n1.[K+].[OH-]
• InChI: InChI=1S/C22H22ClFN8O2.C14H13ClFN7.C7H9N2O2.K.H2O/c1-22(2,3)20-29-19(34-31-20)14(33)8-6-12-5-7-13(17(24)16(12)23)18-25-11-26-21(28-18)27-15-9-10-32(4)30-15;1-23-5-4-10(22-23)20-14-19-7-18-13(21-14)9-3-2-8(6-17)11(15)12(9)16;1-7(2,3)6-8-5(4-10)11-9-6;;/h5,7,9-11H,6,8H2,1-4H3,(H,25,26,27,28,30);2-5,7H,6,17H2,1H3,(H,18,19,20,21,22);1-3H3;;1H2/q;;-1;+1;/p-1
• InChIKey: XVPZNBXHYYSPQG-UHFFFAOYSA-M
• XLogP: 4.22
• 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	1027.95
LogP ≤ 5	4.22
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)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide?

The IUPAC name of potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide (CID 158501013) is potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide.

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

The canonical SMILES for potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide is CC(C)(C)c1noc([C-]=O)n1.Cn1ccc(Nc2ncnc(-c3ccc(CCC(=O)c4nc(C(C)(C)C)no4)c(Cl)c3F)n2)n1.Cn1ccc(Nc2ncnc(-c3ccc(CN)c(Cl)c3F)n2)n1.[K+].[OH-].

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

The InChIKey is XVPZNBXHYYSPQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22ClFN8O2.C14H13ClFN7.C7H9N2O2.K.H2O/c1-22(2,3)20-29-19(34-31-20)14(33)8-6-12-5-7-13(17(24)16(12)23)18-25-11-26-21(28-18)27-15-9-10-32(4)30-15;1-23-5-4-10(22-23)20-14-19-7-18-13(21-14)9-3-2-8(6-17)11(15)12(9)16;1-7(2,3)6-8-5(4-10)11-9-6;;/h5,7,9-11H,6,8H2,1-4H3,(H,25,26,27,28,30);2-5,7H,6,17H2,1H3,(H,18,19,20,21,22);1-3H3;;1H2/q;;-1;+1;/p-1.

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

potassium;4-[4-(aminomethyl)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide has a molecular weight of 1027.95 g/mol, XLogP of 4.22, 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)-3-chloro-2-fluorophenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide is sourced from PubChem (CID 158501013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).