2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline

C25H28N6 — CID 20880266

IUPAC2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc(-c2nc3c4ccccc4nc(N4CCC(N5CCCCC5)CC4)n3n2)cc1
InChIInChI=1S/C25H28N6/c1-3-9-19(10-4-1)23-27-24-21-11-5-6-12-22(21)26-25(31(24)28-23)30-17-13-20(14-18-30)29-15-7-2-8-16-29/h1,3-6,9-12,20H,2,7-8,13-18H2
InChIKeyMEVKGDMLTUZZKY-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.40
Rot. Bonds3

About 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline

2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 20880266) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID20880266
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc(-c2nc3c4ccccc4nc(N4CCC(N5CCCCC5)CC4)n3n2)cc1
InChIInChI=1S/C25H28N6/c1-3-9-19(10-4-1)23-27-24-21-11-5-6-12-22(21)26-25(31(24)28-23)30-17-13-20(14-18-30)29-15-7-2-8-16-29/h1,3-6,9-12,20H,2,7-8,13-18H2
InChIKeyMEVKGDMLTUZZKY-UHFFFAOYSA-N
XLogP4.40
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline 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-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 20880266) is 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline is c1ccc(-c2nc3c4ccccc4nc(N4CCC(N5CCCCC5)CC4)n3n2)cc1.
What is the InChIKey of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is MEVKGDMLTUZZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-3-9-19(10-4-1)23-27-24-21-11-5-6-12-22(21)26-25(31(24)28-23)30-17-13-20(14-18-30)29-15-7-2-8-16-29/h1,3-6,9-12,20H,2,7-8,13-18H2.
What are the key properties of 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 412.54 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 20880266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).