N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide

C93H75ClN25O10+ — CID 158618197

IUPACN-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide
SMILESC#Cc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(N=[N+]=N)c3)nn2-c2ccccc2)c1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(OC)c3)n(-c3ccccc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ncccn2)n(-c2ccccc2)n1
InChIInChI=1S/C24H20ClN5O2.C24H16N8O2.C24H21N5O4.C21H17N7O2/c1-15-9-3-5-11-17(15)21(31)26-23-28-24(27-22(32)18-12-6-4-10-16(18)2)30(29-23)20-14-8-7-13-19(20)25;1-2-16-8-6-9-17(14-16)22(34)27-24-28-23(30-32(24)20-12-4-3-5-13-20)26-21(33)18-10-7-11-19(15-18)29-31-25;1-32-19-12-6-8-16(14-19)21(30)25-23-27-24(29(28-23)18-10-4-3-5-11-18)26-22(31)17-9-7-13-20(15-17)33-2;1-14-8-5-6-11-16(14)18(29)24-20-26-21(25-19(30)17-22-12-7-13-23-17)28(27-20)15-9-3-2-4-10-15/h3-14H,1-2H3,(H2,26,27,28,29,31,32);1,3-15,25H,(H-,26,27,28,30,33,34);3-15H,1-2H3,(H2,25,26,27,28,30,31);2-13H,1H3,(H2,24,25,26,27,29,30)/p+1
InChIKeyHXQRYBKVGBFMJC-UHFFFAOYSA-O
MW1738.24 g/mol
LogP15.64
Rot. Bonds23

About N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide

N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide (PubChem CID 158618197) has the molecular formula C93H75ClN25O10+ and a molecular weight of 1738.24 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide
PubChem CID158618197
Molecular FormulaC93H75ClN25O10+
Molecular Weight1738.24 g/mol
Exact Mass1736.58
IUPAC NameN-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide
SMILESC#Cc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(N=[N+]=N)c3)nn2-c2ccccc2)c1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(OC)c3)n(-c3ccccc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ncccn2)n(-c2ccccc2)n1
InChIInChI=1S/C24H20ClN5O2.C24H16N8O2.C24H21N5O4.C21H17N7O2/c1-15-9-3-5-11-17(15)21(31)26-23-28-24(27-22(32)18-12-6-4-10-16(18)2)30(29-23)20-14-8-7-13-19(20)25;1-2-16-8-6-9-17(14-16)22(34)27-24-28-23(30-32(24)20-12-4-3-5-13-20)26-21(33)18-10-7-11-19(15-18)29-31-25;1-32-19-12-6-8-16(14-19)21(30)25-23-27-24(29(28-23)18-10-4-3-5-11-18)26-22(31)17-9-7-13-20(15-17)33-2;1-14-8-5-6-11-16(14)18(29)24-20-26-21(25-19(30)17-22-12-7-13-23-17)28(27-20)15-9-3-2-4-10-15/h3-14H,1-2H3,(H2,26,27,28,29,31,32);1,3-15,25H,(H-,26,27,28,30,33,34);3-15H,1-2H3,(H2,25,26,27,28,30,31);2-13H,1H3,(H2,24,25,26,27,29,30)/p+1
InChIKeyHXQRYBKVGBFMJC-UHFFFAOYSA-O
XLogP15.64
TPSA450.19 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.24
LogP ≤ 515.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide 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

N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 157120055

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide (CID 158618197) is N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide is C#Cc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(N=[N+]=N)c3)nn2-c2ccccc2)c1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(OC)c3)n(-c3ccccc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ncccn2)n(-c2ccccc2)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide?
The InChIKey is HXQRYBKVGBFMJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20ClN5O2.C24H16N8O2.C24H21N5O4.C21H17N7O2/c1-15-9-3-5-11-17(15)21(31)26-23-28-24(27-22(32)18-12-6-4-10-16(18)2)30(29-23)20-14-8-7-13-19(20)25;1-2-16-8-6-9-17(14-16)22(34)27-24-28-23(30-32(24)20-12-4-3-5-13-20)26-21(33)18-10-7-11-19(15-18)29-31-25;1-32-19-12-6-8-16(14-19)21(30)25-23-27-24(29(28-23)18-10-4-3-5-11-18)26-22(31)17-9-7-13-20(15-17)33-2;1-14-8-5-6-11-16(14)18(29)24-20-26-21(25-19(30)17-22-12-7-13-23-17)28(27-20)15-9-3-2-4-10-15/h3-14H,1-2H3,(H2,26,27,28,29,31,32);1,3-15,25H,(H-,26,27,28,30,33,34);3-15H,1-2H3,(H2,25,26,27,28,30,31);2-13H,1H3,(H2,24,25,26,27,29,30)/p+1.
What are the key properties of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide?
N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide has a molecular weight of 1738.24 g/mol, XLogP of 15.64, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 158618197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).