dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate

C51H51Cl4FK2N18O8 — CID 158744908

About dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate

dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate (PubChem CID 158744908) has the molecular formula C51H51Cl4FK2N18O8 and a molecular weight of 1284.10 g/mol. Its IUPAC name is dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate.

Molecular Properties

• Compound Name: dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate
• PubChem CID: 158744908
• Molecular Formula: C51H51Cl4FK2N18O8
• Molecular Weight: 1284.10 g/mol
• Exact Mass: 1281.22
• IUPAC Name: dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate
• SMILES: COC(=O)c1nc(N)n(Cc2ccc3ncc(Cl)cc3c2)n1.COC(=O)c1nc(N)n[nH]1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(N)n(Cc2ccc3ncc(Cl)cc3c2)n1.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
• InChI: InChI=1S/C21H21ClN8O.C14H12ClN5O2.C10H7Cl2N.C4H6N4O2.CH3F.CH2O3.2K.H/c1-11-5-18(23)27-12(2)16(11)9-26-20(31)19-28-21(24)30(29-19)10-13-3-4-17-14(6-13)7-15(22)8-25-17;1-22-13(21)12-18-14(16)20(19-12)7-8-2-3-11-9(4-8)5-10(15)6-17-11;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-10-3(9)2-6-4(5)8-7-2;1-2;2-1-4-3;;;/h3-8H,9-10H2,1-2H3,(H2,23,27)(H,26,31)(H2,24,28,29);2-6H,7H2,1H3,(H2,16,18,19);1-4,6H,5H2;1H3,(H3,5,6,7,8);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D
• InChIKey: WABHFLBNNCCWJG-HHVZCZSDSA-M
• XLogP: 0.47
• TPSA: 389.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.10
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate?

The IUPAC name of dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate (CID 158744908) is dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate.

What is the SMILES notation for dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate?

The canonical SMILES for dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate is COC(=O)c1nc(N)n(Cc2ccc3ncc(Cl)cc3c2)n1.COC(=O)c1nc(N)n[nH]1.Cc1cc(N)nc(C)c1CNC(=O)c1nc(N)n(Cc2ccc3ncc(Cl)cc3c2)n1.ClCc1ccc2ncc(Cl)cc2c1.O=CO[O-].[2H]CF.[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate?

The InChIKey is WABHFLBNNCCWJG-HHVZCZSDSA-M. The full InChI is InChI=1S/C21H21ClN8O.C14H12ClN5O2.C10H7Cl2N.C4H6N4O2.CH3F.CH2O3.2K.H/c1-11-5-18(23)27-12(2)16(11)9-26-20(31)19-28-21(24)30(29-19)10-13-3-4-17-14(6-13)7-15(22)8-25-17;1-22-13(21)12-18-14(16)20(19-12)7-8-2-3-11-9(4-8)5-10(15)6-17-11;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-10-3(9)2-6-4(5)8-7-2;1-2;2-1-4-3;;;/h3-8H,9-10H2,1-2H3,(H2,23,27)(H,26,31)(H2,24,28,29);2-6H,7H2,1H3,(H2,16,18,19);1-4,6H,5H2;1H3,(H3,5,6,7,8);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1/i;;;;1D;;;;.

What are the key properties of dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate?

dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate has a molecular weight of 1284.10 g/mol, XLogP of 0.47, 11 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;deuterio(fluoro)methane;hydride;methyl 5-amino-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate;methyl 3-amino-1H-1,2,4-triazole-5-carboxylate;oxido formate is sourced from PubChem (CID 158744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).