1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one

C13H23N5O — CID 129255673

IUPAC1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one
SMILESCC(C)(C)C1CNCCN1C(=O)CCC1=NCN=N1
InChIInChI=1S/C13H23N5O/c1-13(2,3)10-8-14-6-7-18(10)12(19)5-4-11-15-9-16-17-11/h10,14H,4-9H2,1-3H3
InChIKeyZJRAJEUQCJMRKX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.43
Rot. Bonds3

About 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one

1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one (PubChem CID 129255673) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one
PubChem CID129255673
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one
SMILESCC(C)(C)C1CNCCN1C(=O)CCC1=NCN=N1
InChIInChI=1S/C13H23N5O/c1-13(2,3)10-8-14-6-7-18(10)12(19)5-4-11-15-9-16-17-11/h10,14H,4-9H2,1-3H3
InChIKeyZJRAJEUQCJMRKX-UHFFFAOYSA-N
XLogP1.43
TPSA69.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one 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-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one (CID 129255673) is 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one is CC(C)(C)C1CNCCN1C(=O)CCC1=NCN=N1.
What is the InChIKey of 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one?
The InChIKey is ZJRAJEUQCJMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,3)10-8-14-6-7-18(10)12(19)5-4-11-15-9-16-17-11/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one?
1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpiperazin-1-yl)-3-(3H-1,2,4-triazol-5-yl)propan-1-one is sourced from PubChem (CID 129255673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).