(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone

C13H15N5O — CID 58996690

IUPAC(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone
SMILESO=C(c1ccccc1N1CCNCC1)n1cncn1
InChIInChI=1S/C13H15N5O/c19-13(18-10-15-9-16-18)11-3-1-2-4-12(11)17-7-5-14-6-8-17/h1-4,9-10,14H,5-8H2
InChIKeyDWRKOGRAKOERBN-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.38
Rot. Bonds2

About (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone

(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 58996690) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone
PubChem CID58996690
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone
SMILESO=C(c1ccccc1N1CCNCC1)n1cncn1
InChIInChI=1S/C13H15N5O/c19-13(18-10-15-9-16-18)11-3-1-2-4-12(11)17-7-5-14-6-8-17/h1-4,9-10,14H,5-8H2
InChIKeyDWRKOGRAKOERBN-UHFFFAOYSA-N
XLogP0.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone 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-ylphenyl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone (CID 58996690) is (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone is O=C(c1ccccc1N1CCNCC1)n1cncn1.
What is the InChIKey of (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is DWRKOGRAKOERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(18-10-15-9-16-18)11-3-1-2-4-12(11)17-7-5-14-6-8-17/h1-4,9-10,14H,5-8H2.
What are the key properties of (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone?
(2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 257.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperazin-1-ylphenyl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 58996690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).