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

C65H83ClN18O15 — CID 157152999

IUPAChydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate
SMILESC.CC(C)COC(=O)Cl.COc1cc(C)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\C(=O)O)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\C(=O)OC(=O)OCC(C)C)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\c3nnc(C)o3)n2)c1.NN.O
InChIInChI=1S/C18H21N3O5.C15H15N5O2.C13H15N5O2.C13H13N3O3.C5H9ClO2.CH4.H4N2.H2O/c1-12(2)10-25-18(23)26-16(22)5-6-21-11-19-17(20-21)14-7-13(3)8-15(9-14)24-4;1-10-6-12(8-13(7-10)21-3)15-16-9-20(19-15)5-4-14-18-17-11(2)22-14;1-9-5-10(7-11(6-9)20-2)13-15-8-18(17-13)4-3-12(19)16-14;1-9-5-10(7-11(6-9)19-2)13-14-8-16(15-13)4-3-12(17)18;1-4(2)3-8-5(6)7;;1-2;/h5-9,11-12H,10H2,1-4H3;4-9H,1-3H3;3-8H,14H2,1-2H3,(H,16,19);3-8H,1-2H3,(H,17,18);4H,3H2,1-2H3;1H4;1-2H2;1H2/b6-5-;5-4-;2*4-3-;;;;
InChIKeySDFLRSCRWIINOK-QODMVWGOSA-N
MW1391.94 g/mol
LogP8.84
Rot. Bonds20

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

hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate (PubChem CID 157152999) has the molecular formula C65H83ClN18O15 and a molecular weight of 1391.94 g/mol. Its IUPAC name is hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate.

Molecular Properties

Compound Namehydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate
PubChem CID157152999
Molecular FormulaC65H83ClN18O15
Molecular Weight1391.94 g/mol
Exact Mass1390.60
IUPAC Namehydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate
SMILESC.CC(C)COC(=O)Cl.COc1cc(C)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\C(=O)O)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\C(=O)OC(=O)OCC(C)C)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\c3nnc(C)o3)n2)c1.NN.O
InChIInChI=1S/C18H21N3O5.C15H15N5O2.C13H15N5O2.C13H13N3O3.C5H9ClO2.CH4.H4N2.H2O/c1-12(2)10-25-18(23)26-16(22)5-6-21-11-19-17(20-21)14-7-13(3)8-15(9-14)24-4;1-10-6-12(8-13(7-10)21-3)15-16-9-20(19-15)5-4-14-18-17-11(2)22-14;1-9-5-10(7-11(6-9)20-2)13-15-8-18(17-13)4-3-12(19)16-14;1-9-5-10(7-11(6-9)19-2)13-14-8-16(15-13)4-3-12(17)18;1-4(2)3-8-5(6)7;;1-2;/h5-9,11-12H,10H2,1-4H3;4-9H,1-3H3;3-8H,14H2,1-2H3,(H,16,19);3-8H,1-2H3,(H,17,18);4H,3H2,1-2H3;1H4;1-2H2;1H2/b6-5-;5-4-;2*4-3-;;;;
InChIKeySDFLRSCRWIINOK-QODMVWGOSA-N
XLogP8.84
TPSA453.54 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001391.94
LogP ≤ 58.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

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'}

Analyze hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate with MolForge

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Related Compounds

hydrazine;2-methylpropoxycarbonyl (Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;2-[(Z)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;hydrate
CID 160382748
lithium;2-[(Z)-2-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid;methane;2-methylpropoxycarbonyl (Z)-3-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;propan-2-yl (Z)-3-[3-[3-chloro-5-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;hydroxide
CID 162155198
methane;(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate
CID 157475656
hydrazine;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;hydrate
CID 157560107
disodium;[3-[1-[(Z)-3-hydrazinyl-3-oxoprop-1-enyl]-1,2,4-triazol-3-yl]-5-methylphenyl] 2-methylpropyl carbonate;hydride;(Z)-3-[3-(3-hydroxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;2-methylpropoxycarbonyl (Z)-3-[3-[3-methyl-5-(2-methylpropoxycarbonyloxy)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;oxido formate
CID 158142947
(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enenitrile;(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;pentachloro-lambda5-phosphane
CID 158669437
disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate
CID 158698759
2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 158759260
[3-[1-[(Z)-3-hydrazinyl-3-oxoprop-1-enyl]-1,2,4-triazol-3-yl]-5-methylphenyl] 2-methylpropyl carbonate;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate
CID 158821396
hydrazine;methane;2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate
CID 159042099
dilithium;azetidin-3-ol;azetidin-3-yl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;bis((Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid);bis(propan-2-yl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate);dihydroxide;hydrochloride
CID 159435114
hydrazine;(Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;2-methylpropoxycarbonyl (Z)-3-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;hydrate
CID 159612167

Frequently Asked Questions

What is the IUPAC name of hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?
The IUPAC name of hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate (CID 157152999) is hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate.
What is the SMILES notation for hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?
The canonical SMILES for hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate is C.CC(C)COC(=O)Cl.COc1cc(C)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\C(=O)O)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\C(=O)OC(=O)OCC(C)C)n2)c1.COc1cc(C)cc(-c2ncn(/C=C\c3nnc(C)o3)n2)c1.NN.O.
What is the InChIKey of hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?
The InChIKey is SDFLRSCRWIINOK-QODMVWGOSA-N. The full InChI is InChI=1S/C18H21N3O5.C15H15N5O2.C13H15N5O2.C13H13N3O3.C5H9ClO2.CH4.H4N2.H2O/c1-12(2)10-25-18(23)26-16(22)5-6-21-11-19-17(20-21)14-7-13(3)8-15(9-14)24-4;1-10-6-12(8-13(7-10)21-3)15-16-9-20(19-15)5-4-14-18-17-11(2)22-14;1-9-5-10(7-11(6-9)20-2)13-15-8-18(17-13)4-3-12(19)16-14;1-9-5-10(7-11(6-9)19-2)13-14-8-16(15-13)4-3-12(17)18;1-4(2)3-8-5(6)7;;1-2;/h5-9,11-12H,10H2,1-4H3;4-9H,1-3H3;3-8H,14H2,1-2H3,(H,16,19);3-8H,1-2H3,(H,17,18);4H,3H2,1-2H3;1H4;1-2H2;1H2/b6-5-;5-4-;2*4-3-;;;;.
What are the key properties of hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate?
hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate has a molecular weight of 1391.94 g/mol, XLogP of 8.84, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;methane;2-[(Z)-2-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]ethenyl]-5-methyl-1,3,4-oxadiazole;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid;2-methylpropoxycarbonyl (Z)-3-[3-(3-methoxy-5-methylphenyl)-1,2,4-triazol-1-yl]prop-2-enoate;2-methylpropyl carbonochloridate;hydrate is sourced from PubChem (CID 157152999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).