6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide

C68H81BCl3F8IN17O17- — CID 158691179

About 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide

6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide (PubChem CID 158691179) has the molecular formula C68H81BCl3F8IN17O17- and a molecular weight of 1804.56 g/mol. Its IUPAC name is 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide.

Molecular Properties

• Compound Name: 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide
• PubChem CID: 158691179
• Molecular Formula: C68H81BCl3F8IN17O17-
• Molecular Weight: 1804.56 g/mol
• Exact Mass: 1802.41
• IUPAC Name: 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide
• SMILES: CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.COC(=O)C1(O)CC1.COC(=O)C1(OC)CC1.COC1(C(=O)CNc2cnc(Cl)cn2)CC1.COC1(C(=O)O)CC1.COC1(c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(Cl)cn23)CC1.NNc1cnc(Cl)cn1.[I-]
• InChI: InChI=1S/C16H13F4N5O2.C13H16BF4NO3.C10H12ClN3O2.C9H9ClN4O.C6H10O3.2C5H8O3.C4H5ClN4.HI/c1-26-15(2-3-15)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20;1-11(2)12(3,4)22-14(21-11)8-5-9(15)10(19-6-8)20-7-13(16,17)18;1-16-10(2-3-10)7(15)4-13-9-6-12-8(11)5-14-9;1-15-9(2-3-9)8-13-12-7-4-11-6(10)5-14(7)8;1-8-5(7)6(9-2)3-4-6;1-8-4(6)5(7)2-3-5;1-8-5(2-3-5)4(6)7;5-3-1-8-4(9-6)2-7-3;/h4-7H,2-3,8H2,1H3;5-6H,7H2,1-4H3;5-6H,2-4H2,1H3,(H,13,14);4-5H,2-3H2,1H3;3-4H2,1-2H3;7H,2-3H2,1H3;2-3H2,1H3,(H,6,7);1-2H,6H2,(H,8,9);1H/p-1
• InChIKey: VBHIPQUEJAUUTB-UHFFFAOYSA-M
• XLogP: 5.76
• TPSA: 423.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1804.56
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide?

The IUPAC name of 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide (CID 158691179) is 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide.

What is the SMILES notation for 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide?

The canonical SMILES for 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide is CC1(C)OB(c2cnc(OCC(F)(F)F)c(F)c2)OC1(C)C.COC(=O)C1(O)CC1.COC(=O)C1(OC)CC1.COC1(C(=O)CNc2cnc(Cl)cn2)CC1.COC1(C(=O)O)CC1.COC1(c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)CC1.COC1(c2nnc3cnc(Cl)cn23)CC1.NNc1cnc(Cl)cn1.[I-].

What is the InChIKey of 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide?

The InChIKey is VBHIPQUEJAUUTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13F4N5O2.C13H16BF4NO3.C10H12ClN3O2.C9H9ClN4O.C6H10O3.2C5H8O3.C4H5ClN4.HI/c1-26-15(2-3-15)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20;1-11(2)12(3,4)22-14(21-11)8-5-9(15)10(19-6-8)20-7-13(16,17)18;1-16-10(2-3-10)7(15)4-13-9-6-12-8(11)5-14-9;1-15-9(2-3-9)8-13-12-7-4-11-6(10)5-14(7)8;1-8-5(7)6(9-2)3-4-6;1-8-4(6)5(7)2-3-5;1-8-5(2-3-5)4(6)7;5-3-1-8-4(9-6)2-7-3;/h4-7H,2-3,8H2,1H3;5-6H,7H2,1-4H3;5-6H,2-4H2,1H3,(H,13,14);4-5H,2-3H2,1H3;3-4H2,1-2H3;7H,2-3H2,1H3;2-3H2,1H3,(H,6,7);1-2H,6H2,(H,8,9);1H/p-1.

What are the key properties of 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide?

6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide has a molecular weight of 1804.56 g/mol, XLogP of 5.76, 21 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;2-[(5-chloropyrazin-2-yl)amino]-1-(1-methoxycyclopropyl)ethanone;(5-chloropyrazin-2-yl)hydrazine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(1-methoxycyclopropyl)-[1,2,4]triazolo[4,3-a]pyrazine;1-methoxycyclopropane-1-carboxylic acid;methyl 1-hydroxycyclopropane-1-carboxylate;methyl 1-methoxycyclopropane-1-carboxylate;iodide is sourced from PubChem (CID 158691179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).