potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate

C85H103BrKN45O13 — CID 159358508

About potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate

potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate (PubChem CID 159358508) has the molecular formula C85H103BrKN45O13 and a molecular weight of 2082.06 g/mol. Its IUPAC name is potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate.

Molecular Properties

• Compound Name: potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate
• PubChem CID: 159358508
• Molecular Formula: C85H103BrKN45O13
• Molecular Weight: 2082.06 g/mol
• Exact Mass: 2079.76
• IUPAC Name: potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate
• SMILES: CC(=O)[O-].CCCC(=O)NNC(=O)c1cc(-c2cnc(N(C)C)nc2)cc2nc(N)nn12.CCO.CCOC(=O)c1cc(-c2cccnc2)cc2nc(N)nn12.CCOC(=O)c1cc(-c2cnc(N(C)C)nc2)cc2nc(N)nn12.CCOC(=O)c1cc(Br)cc2nc(N)nn12.CN(C)c1ncc(-c2cc(C(=O)NN)n3nc(N)nc3c2)cn1.CN(C)c1ncc(-c2cc(C(=O)NN)n3nc(N)nc3c2)cn1.NN.[K+]
• InChI: InChI=1S/C17H21N9O2.C15H17N7O2.C14H13N5O2.2C13H15N9O.C9H9BrN4O2.C2H4O2.C2H6O.K.H4N2/c1-4-5-14(27)22-23-15(28)12-6-10(7-13-21-16(18)24-26(12)13)11-8-19-17(20-9-11)25(2)3;1-4-24-13(23)11-5-9(6-12-19-14(16)20-22(11)12)10-7-17-15(18-8-10)21(2)3;1-2-21-13(20)11-6-10(9-4-3-5-16-8-9)7-12-17-14(15)18-19(11)12;2*1-21(2)13-16-5-8(6-17-13)7-3-9(11(23)19-15)22-10(4-7)18-12(14)20-22;1-2-16-8(15)6-3-5(10)4-7-12-9(11)13-14(6)7;1-2(3)4;1-2-3;;1-2/h6-9H,4-5H2,1-3H3,(H2,18,24)(H,22,27)(H,23,28);5-8H,4H2,1-3H3,(H2,16,20);3-8H,2H2,1H3,(H2,15,18);2*3-6H,15H2,1-2H3,(H2,14,20)(H,19,23);3-4H,2H2,1H3,(H2,11,13);1H3,(H,3,4);3H,2H2,1H3;;1-2H2/q;;;;;;;;+1;/p-1
• InChIKey: LIFPYIMGOBQZSR-UHFFFAOYSA-M
• XLogP: -2.34
• TPSA: 825.97 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 54
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.06
LogP ≤ 5	-2.34
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate?

The IUPAC name of potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate (CID 159358508) is potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate.

What is the SMILES notation for potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate?

The canonical SMILES for potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate is CC(=O)[O-].CCCC(=O)NNC(=O)c1cc(-c2cnc(N(C)C)nc2)cc2nc(N)nn12.CCO.CCOC(=O)c1cc(-c2cccnc2)cc2nc(N)nn12.CCOC(=O)c1cc(-c2cnc(N(C)C)nc2)cc2nc(N)nn12.CCOC(=O)c1cc(Br)cc2nc(N)nn12.CN(C)c1ncc(-c2cc(C(=O)NN)n3nc(N)nc3c2)cn1.CN(C)c1ncc(-c2cc(C(=O)NN)n3nc(N)nc3c2)cn1.NN.[K+].

What is the InChIKey of potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate?

The InChIKey is LIFPYIMGOBQZSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21N9O2.C15H17N7O2.C14H13N5O2.2C13H15N9O.C9H9BrN4O2.C2H4O2.C2H6O.K.H4N2/c1-4-5-14(27)22-23-15(28)12-6-10(7-13-21-16(18)24-26(12)13)11-8-19-17(20-9-11)25(2)3;1-4-24-13(23)11-5-9(6-12-19-14(16)20-22(11)12)10-7-17-15(18-8-10)21(2)3;1-2-21-13(20)11-6-10(9-4-3-5-16-8-9)7-12-17-14(15)18-19(11)12;2*1-21(2)13-16-5-8(6-17-13)7-3-9(11(23)19-15)22-10(4-7)18-12(14)20-22;1-2-16-8(15)6-3-5(10)4-7-12-9(11)13-14(6)7;1-2(3)4;1-2-3;;1-2/h6-9H,4-5H2,1-3H3,(H2,18,24)(H,22,27)(H,23,28);5-8H,4H2,1-3H3,(H2,16,20);3-8H,2H2,1H3,(H2,15,18);2*3-6H,15H2,1-2H3,(H2,14,20)(H,19,23);3-4H,2H2,1H3,(H2,11,13);1H3,(H,3,4);3H,2H2,1H3;;1-2H2/q;;;;;;;;+1;/p-1.

What are the key properties of potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate?

potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate has a molecular weight of 2082.06 g/mol, XLogP of -2.34, 20 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate is sourced from PubChem (CID 159358508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).