2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine

C15H16N8 — CID 167940796

IUPAC2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1cnn(-c2cncc(-c3ncnc(N4CCNCC4)n3)c2)c1
InChIInChI=1S/C15H16N8/c1-2-20-23(5-1)13-8-12(9-17-10-13)14-18-11-19-15(21-14)22-6-3-16-4-7-22/h1-2,5,8-11,16H,3-4,6-7H2
InChIKeyAWKSUENQDLTOQH-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.53
Rot. Bonds3

About 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine

2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 167940796) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
PubChem CID167940796
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1cnn(-c2cncc(-c3ncnc(N4CCNCC4)n3)c2)c1
InChIInChI=1S/C15H16N8/c1-2-20-23(5-1)13-8-12(9-17-10-13)14-18-11-19-15(21-14)22-6-3-16-4-7-22/h1-2,5,8-11,16H,3-4,6-7H2
InChIKeyAWKSUENQDLTOQH-UHFFFAOYSA-N
XLogP0.53
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine (CID 167940796) is 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine is c1cnn(-c2cncc(-c3ncnc(N4CCNCC4)n3)c2)c1.
What is the InChIKey of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
The InChIKey is AWKSUENQDLTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-2-20-23(5-1)13-8-12(9-17-10-13)14-18-11-19-15(21-14)22-6-3-16-4-7-22/h1-2,5,8-11,16H,3-4,6-7H2.
What are the key properties of 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine?
2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine has a molecular weight of 308.35 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(5-pyrazol-1-yl-3-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 167940796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).