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

C43H47Cl2KN17O5- — CID 157196197

About potassium;4-[4-(aminomethyl)-3-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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 157196197) has the molecular formula C43H47Cl2KN17O5- and a molecular weight of 991.97 g/mol. Its IUPAC name is potassium;4-[4-(aminomethyl)-3-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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: 157196197
• Molecular Formula: C43H47Cl2KN17O5-
• Molecular Weight: 991.97 g/mol
• Exact Mass: 990.30
• IUPAC Name: potassium;4-[4-(aminomethyl)-3-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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.Cn1cc(Nc2ncnc(-c3ccc(CCC(=O)c4nc(C(C)(C)C)no4)c(Cl)c3)n2)cn1.Cn1cc(Nc2ncnc(-c3ccc(CN)c(Cl)c3)n2)cn1.[K+].[OH-]
• InChI: InChI=1S/C22H23ClN8O2.C14H14ClN7.C7H9N2O2.K.H2O/c1-22(2,3)20-29-19(33-30-20)17(32)8-7-13-5-6-14(9-16(13)23)18-24-12-25-21(28-18)27-15-10-26-31(4)11-15;1-22-7-11(6-19-22)20-14-18-8-17-13(21-14)9-2-3-10(5-16)12(15)4-9;1-7(2,3)6-8-5(4-10)11-9-6;;/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,27,28);2-4,6-8H,5,16H2,1H3,(H,17,18,20,21);1-3H3;;1H2/q;;-1;+1;/p-1
• InChIKey: OUGQOWFYUWXSOV-UHFFFAOYSA-M
• XLogP: 3.94
• TPSA: 305.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.97
LogP ≤ 5	3.94
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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one;(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanone;hydroxide (CID 157196197) is potassium;4-[4-(aminomethyl)-3-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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.Cn1cc(Nc2ncnc(-c3ccc(CCC(=O)c4nc(C(C)(C)C)no4)c(Cl)c3)n2)cn1.Cn1cc(Nc2ncnc(-c3ccc(CN)c(Cl)c3)n2)cn1.[K+].[OH-].

What is the InChIKey of potassium;4-[4-(aminomethyl)-3-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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 OUGQOWFYUWXSOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23ClN8O2.C14H14ClN7.C7H9N2O2.K.H2O/c1-22(2,3)20-29-19(33-30-20)17(32)8-7-13-5-6-14(9-16(13)23)18-24-12-25-21(28-18)27-15-10-26-31(4)11-15;1-22-7-11(6-19-22)20-14-18-8-17-13(21-14)9-2-3-10(5-16)12(15)4-9;1-7(2,3)6-8-5(4-10)11-9-6;;/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,27,28);2-4,6-8H,5,16H2,1H3,(H,17,18,20,21);1-3H3;;1H2/q;;-1;+1;/p-1.

What are the key properties of potassium;4-[4-(aminomethyl)-3-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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 991.97 g/mol, XLogP of 3.94, 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-chlorophenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-chloro-4-[4-[(1-methylpyrazol-4-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 157196197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).