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

C72H97ClN18O15 — CID 159042099

IUPAChydrazine;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
SMILESC.CC(C)COC(=O)Cl.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OC(=O)OCC(C)C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.NN.O
InChIInChI=1S/C20H25N3O5.C16H17N5O2.C15H19N5O2.C15H17N3O3.C5H9ClO2.CH4.H4N2.H2O/c1-13(2)11-26-20(25)28-18(24)6-7-23-12-21-19(22-23)16-8-15(5)9-17(10-16)27-14(3)4;1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)22-13-7-11(3)6-12(8-13)15-17-9-20(19-15)5-4-14(21)18-16;1-10(2)21-13-7-11(3)6-12(8-13)15-16-9-18(17-15)5-4-14(19)20;1-4(2)3-8-5(6)7;;1-2;/h6-10,12-14H,11H2,1-5H3;4-11H,1-3H3;4-10H,16H2,1-3H3,(H,18,21);4-10H,1-3H3,(H,19,20);4H,3H2,1-2H3;1H4;1-2H2;1H2/b7-6-;3*5-4-;;;;
InChIKeyLGTSFSBYJORKQG-FZSHVQFXSA-N
MW1490.13 g/mol
LogP11.64
Rot. Bonds24

About 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

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 (PubChem CID 159042099) has the molecular formula C72H97ClN18O15 and a molecular weight of 1490.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehydrazine;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
PubChem CID159042099
Molecular FormulaC72H97ClN18O15
Molecular Weight1490.13 g/mol
Exact Mass1488.71
IUPAC Namehydrazine;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
SMILESC.CC(C)COC(=O)Cl.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OC(=O)OCC(C)C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.NN.O
InChIInChI=1S/C20H25N3O5.C16H17N5O2.C15H19N5O2.C15H17N3O3.C5H9ClO2.CH4.H4N2.H2O/c1-13(2)11-26-20(25)28-18(24)6-7-23-12-21-19(22-23)16-8-15(5)9-17(10-16)27-14(3)4;1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)22-13-7-11(3)6-12(8-13)15-17-9-20(19-15)5-4-14(21)18-16;1-10(2)21-13-7-11(3)6-12(8-13)15-16-9-18(17-15)5-4-14(19)20;1-4(2)3-8-5(6)7;;1-2;/h6-10,12-14H,11H2,1-5H3;4-11H,1-3H3;4-10H,16H2,1-3H3,(H,18,21);4-10H,1-3H3,(H,19,20);4H,3H2,1-2H3;1H4;1-2H2;1H2/b7-6-;3*5-4-;;;;
InChIKeyLGTSFSBYJORKQG-FZSHVQFXSA-N
XLogP11.64
TPSA453.54 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms106
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.13
LogP ≤ 511.64
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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)COC(=O)Cl.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)O)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\C(=O)OC(=O)OCC(C)C)n2)c1.Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.NN.O.
What is the InChIKey of 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?
The InChIKey is LGTSFSBYJORKQG-FZSHVQFXSA-N. The full InChI is InChI=1S/C20H25N3O5.C16H17N5O2.C15H19N5O2.C15H17N3O3.C5H9ClO2.CH4.H4N2.H2O/c1-13(2)11-26-20(25)28-18(24)6-7-23-12-21-19(22-23)16-8-15(5)9-17(10-16)27-14(3)4;1-11(2)23-14-7-12(3)6-13(8-14)16-17-9-21(20-16)5-4-15-19-18-10-22-15;1-10(2)22-13-7-11(3)6-12(8-13)15-17-9-20(19-15)5-4-14(21)18-16;1-10(2)21-13-7-11(3)6-12(8-13)15-16-9-18(17-15)5-4-14(19)20;1-4(2)3-8-5(6)7;;1-2;/h6-10,12-14H,11H2,1-5H3;4-11H,1-3H3;4-10H,16H2,1-3H3,(H,18,21);4-10H,1-3H3,(H,19,20);4H,3H2,1-2H3;1H4;1-2H2;1H2/b7-6-;3*5-4-;;;;.
What are the key properties of 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?
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 has a molecular weight of 1490.13 g/mol, XLogP of 11.64, 24 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-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 is sourced from PubChem (CID 159042099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).