2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide

C23H22N8O — CID 122299278

IUPAC2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C23H22N8O/c32-22(21-17-26-31(28-21)20-9-5-2-6-10-20)27-18-15-24-23(25-16-18)30-13-11-29(12-14-30)19-7-3-1-4-8-19/h1-10,15-17H,11-14H2,(H,27,32)
InChIKeyJZEXZAYFQRKHDY-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.64
Rot. Bonds5

About 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide

2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide (PubChem CID 122299278) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
PubChem CID122299278
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C23H22N8O/c32-22(21-17-26-31(28-21)20-9-5-2-6-10-20)27-18-15-24-23(25-16-18)30-13-11-29(12-14-30)19-7-3-1-4-8-19/h1-10,15-17H,11-14H2,(H,27,32)
InChIKeyJZEXZAYFQRKHDY-UHFFFAOYSA-N
XLogP2.64
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]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

N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 46684120
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
CID 122299402
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122299398

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide (CID 122299278) is 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide is O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
The InChIKey is JZEXZAYFQRKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c32-22(21-17-26-31(28-21)20-9-5-2-6-10-20)27-18-15-24-23(25-16-18)30-13-11-29(12-14-30)19-7-3-1-4-8-19/h1-10,15-17H,11-14H2,(H,27,32).
What are the key properties of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide is sourced from PubChem (CID 122299278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).