1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine

C13H17N5O — CID 59511192

IUPAC1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
SMILESCOc1nc(N2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-15-13(17-9-7-14-8-10-17)18(16-12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyPDOCTTGOMNABKP-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.69
Rot. Bonds3

About 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine

1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine (PubChem CID 59511192) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
PubChem CID59511192
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
SMILESCOc1nc(N2CCNCC2)n(-c2ccccc2)n1
InChIInChI=1S/C13H17N5O/c1-19-12-15-13(17-9-7-14-8-10-17)18(16-12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKeyPDOCTTGOMNABKP-UHFFFAOYSA-N
XLogP0.69
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine 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 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine (CID 59511192) is 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine is COc1nc(N2CCNCC2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
The InChIKey is PDOCTTGOMNABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-12-15-13(17-9-7-14-8-10-17)18(16-12)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3.
What are the key properties of 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine?
1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine has a molecular weight of 259.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 59511192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).