lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide

C92H106LiN19O9 — CID 162256668

IUPAClithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide
SMILESCC(C)C(=O)/N=C/N(C)C.CC(N)c1cnccn1.COC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ncnc2C(C)C)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cc2)c1.Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-n3ncnc3C(C)C)c2)cc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)cc1.[Li+].[OH-]
InChIInChI=1S/C25H26N6O.C20H21N3O2.C19H19N3O2.C15H16N2O2.C7H14N2O.C6H9N3.Li.H2O/c1-16(2)24-28-15-29-31(24)22-12-20(19-7-5-17(3)6-8-19)11-21(13-22)25(32)30-18(4)23-14-26-9-10-27-23;1-13(2)19-21-12-22-23(19)18-10-16(9-17(11-18)20(24)25-4)15-7-5-14(3)6-8-15;1-12(2)18-20-11-21-22(18)17-9-15(8-16(10-17)19(23)24)14-6-4-13(3)5-7-14;1-10-3-5-11(6-4-10)12-7-13(15(18)19-2)9-14(8-12)17-16;1-6(2)7(10)8-5-9(3)4;1-5(7)6-4-8-2-3-9-6;;/h5-16,18H,1-4H3,(H,30,32);5-13H,1-4H3;4-12H,1-3H3,(H,23,24);3-9,17H,16H2,1-2H3;5-6H,1-4H3;2-5H,7H2,1H3;;1H2/q;;;;;;+1;/p-1/b;;;;8-5+;;;
InChIKeyZYRKIERVCZZVHD-QEIDFPDBSA-M
MW1628.92 g/mol
LogP13.68
Rot. Bonds20

About lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide

lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide (PubChem CID 162256668) has the molecular formula C92H106LiN19O9 and a molecular weight of 1628.92 g/mol. Its IUPAC name is lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide.

Molecular Properties

Compound Namelithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide
PubChem CID162256668
Molecular FormulaC92H106LiN19O9
Molecular Weight1628.92 g/mol
Exact Mass1627.86
IUPAC Namelithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide
SMILESCC(C)C(=O)/N=C/N(C)C.CC(N)c1cnccn1.COC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ncnc2C(C)C)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cc2)c1.Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-n3ncnc3C(C)C)c2)cc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)cc1.[Li+].[OH-]
InChIInChI=1S/C25H26N6O.C20H21N3O2.C19H19N3O2.C15H16N2O2.C7H14N2O.C6H9N3.Li.H2O/c1-16(2)24-28-15-29-31(24)22-12-20(19-7-5-17(3)6-8-19)11-21(13-22)25(32)30-18(4)23-14-26-9-10-27-23;1-13(2)19-21-12-22-23(19)18-10-16(9-17(11-18)20(24)25-4)15-7-5-14(3)6-8-15;1-12(2)18-20-11-21-22(18)17-9-15(8-16(10-17)19(23)24)14-6-4-13(3)5-7-14;1-10-3-5-11(6-4-10)12-7-13(15(18)19-2)9-14(8-12)17-16;1-6(2)7(10)8-5-9(3)4;1-5(7)6-4-8-2-3-9-6;;/h5-16,18H,1-4H3,(H,30,32);5-13H,1-4H3;4-12H,1-3H3,(H,23,24);3-9,17H,16H2,1-2H3;5-6H,1-4H3;2-5H,7H2,1H3;;1H2/q;;;;;;+1;/p-1/b;;;;8-5+;;;
InChIKeyZYRKIERVCZZVHD-QEIDFPDBSA-M
XLogP13.68
TPSA389.43 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.92
LogP ≤ 513.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide 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

sodium;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide;3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid;2,2,2-trifluoroacetamide;hydroxide;hydrochloride
CID 160723268
lithium;4-[2-[[1-(4-cyanocyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;methane;methyl 4-[2-[[1-(4-cyanocyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;4-methylcyclohexane-1-carbonitrile;methyl 4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoate;2,2,2-trifluoroethanamine;hydroxide;hydrate
CID 167623329
3-[5-[1-(Dimethylamino)ethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoic acid;1-pyrazin-2-ylethanamine
CID 67344058
N-[3-(dimethylamino)propyl]-3-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzamide;N',N'-dimethylpropane-1,3-diamine;3-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoic acid
CID 157108653
lithium;1,1-dimethoxy-N,N-dimethylmethanamine;2-hydroxypropanamide;iodomethane;3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoic acid;1-[3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)phenyl]-3-pyrazin-2-ylbutan-1-one;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-[5-(1-hydroxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoate;methyl 3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide
CID 157575175
Sodium;acetamide;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-methyl-1,2,4-triazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-methyl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-methyl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;hydrochloride
CID 157773723
lithium;1,1-dimethoxy-N,N-dimethylmethanamine;2-hydroxypropanamide;iodomethane;3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoic acid;3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-[5-(1-hydroxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoate;methyl 3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide
CID 158064150
3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzoic acid;3-[5-(1-methoxyethyl)-1,2,4-triazol-1-yl]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 158508808
Disodium;methyl 3-amino-5-(4-methylphenyl)benzoate;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;bis(3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid);2-methylpropanamide;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]propan-1-one;hydroxide;nitrite;hydrochloride
CID 158917076
3-(4-methylphenyl)-5-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)benzoic acid;3-(4-methylphenyl)-5-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 159459889
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzamide;3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid
CID 159728837
ethyl 3-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzoate;N-(2-hydroxyethyl)-3-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide
CID 160155555

Frequently Asked Questions

What is the IUPAC name of lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide?
The IUPAC name of lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide (CID 162256668) is lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide.
What is the SMILES notation for lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide?
The canonical SMILES for lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide is CC(C)C(=O)/N=C/N(C)C.CC(N)c1cnccn1.COC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ncnc2C(C)C)c1.COC(=O)c1cc(NN)cc(-c2ccc(C)cc2)c1.Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(-n3ncnc3C(C)C)c2)cc1.Cc1ccc(-c2cc(C(=O)O)cc(-n3ncnc3C(C)C)c2)cc1.[Li+].[OH-].
What is the InChIKey of lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide?
The InChIKey is ZYRKIERVCZZVHD-QEIDFPDBSA-M. The full InChI is InChI=1S/C25H26N6O.C20H21N3O2.C19H19N3O2.C15H16N2O2.C7H14N2O.C6H9N3.Li.H2O/c1-16(2)24-28-15-29-31(24)22-12-20(19-7-5-17(3)6-8-19)11-21(13-22)25(32)30-18(4)23-14-26-9-10-27-23;1-13(2)19-21-12-22-23(19)18-10-16(9-17(11-18)20(24)25-4)15-7-5-14(3)6-8-15;1-12(2)18-20-11-21-22(18)17-9-15(8-16(10-17)19(23)24)14-6-4-13(3)5-7-14;1-10-3-5-11(6-4-10)12-7-13(15(18)19-2)9-14(8-12)17-16;1-6(2)7(10)8-5-9(3)4;1-5(7)6-4-8-2-3-9-6;;/h5-16,18H,1-4H3,(H,30,32);5-13H,1-4H3;4-12H,1-3H3,(H,23,24);3-9,17H,16H2,1-2H3;5-6H,1-4H3;2-5H,7H2,1H3;;1H2/q;;;;;;+1;/p-1/b;;;;8-5+;;;.
What are the key properties of lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide?
lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide has a molecular weight of 1628.92 g/mol, XLogP of 13.68, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-(dimethylaminomethylidene)-2-methylpropanamide;methyl 3-hydrazinyl-5-(4-methylphenyl)benzoate;methyl 3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoate;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)benzoic acid;3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)-N-(1-pyrazin-2-ylethyl)benzamide;1-pyrazin-2-ylethanamine;hydroxide is sourced from PubChem (CID 162256668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).