2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate

C68H85Cl5N18O15 — CID 161147332

About 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate

2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate (PubChem CID 161147332) has the molecular formula C68H85Cl5N18O15 and a molecular weight of 1571.80 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate.

Molecular Properties

• Compound Name: 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate
• PubChem CID: 161147332
• Molecular Formula: C68H85Cl5N18O15
• Molecular Weight: 1571.80 g/mol
• Exact Mass: 1568.49
• IUPAC Name: 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate
• SMILES: C.CC(C)COC(=O)Cl.CC(C)COC(=O)OC(=O)/C=C\n1cnc(-c2cc(Cl)cc(OC(C)C)c2)n1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\C(=O)O)n2)c1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.NN.O
• InChI: InChI=1S/C19H22ClN3O5.C15H14ClN5O2.C14H16ClN5O2.C14H14ClN3O3.C5H9ClO2.CH4.H4N2.H2O/c1-12(2)10-26-19(25)28-17(24)5-6-23-11-21-18(22-23)14-7-15(20)9-16(8-14)27-13(3)4;1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-9(2)22-12-6-10(5-11(15)7-12)14-17-8-20(19-14)4-3-13(21)18-16;1-9(2)21-12-6-10(5-11(15)7-12)14-16-8-18(17-14)4-3-13(19)20;1-4(2)3-8-5(6)7;;1-2;/h5-9,11-13H,10H2,1-4H3;3-10H,1-2H3;3-9H,16H2,1-2H3,(H,18,21);3-9H,1-2H3,(H,19,20);4H,3H2,1-2H3;1H4;1-2H2;1H2/b6-5-;3*4-3-
• InChIKey: LYQJWGKHUHQOEJ-JWPUHRIRSA-N
• XLogP: 13.02
• TPSA: 453.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.80
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?

The IUPAC name of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate (CID 161147332) is 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate.

What is the SMILES notation for 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?

The canonical SMILES for 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate is C.CC(C)COC(=O)Cl.CC(C)COC(=O)OC(=O)/C=C\n1cnc(-c2cc(Cl)cc(OC(C)C)c2)n1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\C(=O)O)n2)c1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.NN.O.

What is the InChIKey of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?

The InChIKey is LYQJWGKHUHQOEJ-JWPUHRIRSA-N. The full InChI is InChI=1S/C19H22ClN3O5.C15H14ClN5O2.C14H16ClN5O2.C14H14ClN3O3.C5H9ClO2.CH4.H4N2.H2O/c1-12(2)10-26-19(25)28-17(24)5-6-23-11-21-18(22-23)14-7-15(20)9-16(8-14)27-13(3)4;1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-9(2)22-12-6-10(5-11(15)7-12)14-17-8-20(19-14)4-3-13(21)18-16;1-9(2)21-12-6-10(5-11(15)7-12)14-16-8-18(17-14)4-3-13(19)20;1-4(2)3-8-5(6)7;;1-2;/h5-9,11-13H,10H2,1-4H3;3-10H,1-2H3;3-9H,16H2,1-2H3,(H,18,21);3-9H,1-2H3,(H,19,20);4H,3H2,1-2H3;1H4;1-2H2;1H2/b6-5-;3*4-3-;;;;.

What are the key properties of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?

2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate has a molecular weight of 1571.80 g/mol, XLogP of 13.02, 24 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrazine;methane;2-methylpropoxycarbonyl (Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate is sourced from PubChem (CID 161147332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).