2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide

C23H27ClN6O — CID 87032434

IUPAC2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1
InChIInChI=1S/C23H27ClN6O/c1-17-22(27-30(26-17)21-5-3-4-19(24)16-21)23(31)25-20-8-6-18(7-9-20)10-11-29-14-12-28(2)13-15-29/h3-9,16H,10-15H2,1-2H3,(H,25,31)
InChIKeyOZWIVHITUHKCHC-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.27
Rot. Bonds6

About 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide

2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide (PubChem CID 87032434) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
PubChem CID87032434
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1
InChIInChI=1S/C23H27ClN6O/c1-17-22(27-30(26-17)21-5-3-4-19(24)16-21)23(31)25-20-8-6-18(7-9-20)10-11-29-14-12-28(2)13-15-29/h3-9,16H,10-15H2,1-2H3,(H,25,31)
InChIKeyOZWIVHITUHKCHC-UHFFFAOYSA-N
XLogP3.27
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-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

3-(3-chlorophenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 86874536
2-(3-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyltriazole-4-carboxamide
CID 78892446
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 9455454
2-(3-chlorophenyl)-5-methyl-N-(1-propylpiperidin-4-yl)triazole-4-carboxamide
CID 78823487
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 9488683
2-(3-chlorophenyl)-5-methyl-N-prop-2-ynyltriazole-4-carboxamide
CID 30601244
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
2-(3-chlorophenyl)-5-methyl-N-(2-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 78901049
2-(3-chlorophenyl)-5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 26955251
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide
CID 78878389

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide (CID 87032434) is 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide is Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc(CCN2CCN(C)CC2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide?
The InChIKey is OZWIVHITUHKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c1-17-22(27-30(26-17)21-5-3-4-19(24)16-21)23(31)25-20-8-6-18(7-9-20)10-11-29-14-12-28(2)13-15-29/h3-9,16H,10-15H2,1-2H3,(H,25,31).
What are the key properties of 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide?
2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 87032434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).