3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine

C11H19N5 — CID 116823995

IUPAC3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine
SMILESCC(C)(C)c1nncc(N2CCNCC2)n1
InChIInChI=1S/C11H19N5/c1-11(2,3)10-14-9(8-13-15-10)16-6-4-12-5-7-16/h8,12H,4-7H2,1-3H3
InChIKeyWRUGMGKTRGXUFL-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.58
Rot. Bonds1

About 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine

3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine (PubChem CID 116823995) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine
PubChem CID116823995
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine
SMILESCC(C)(C)c1nncc(N2CCNCC2)n1
InChIInChI=1S/C11H19N5/c1-11(2,3)10-14-9(8-13-15-10)16-6-4-12-5-7-16/h8,12H,4-7H2,1-3H3
InChIKeyWRUGMGKTRGXUFL-UHFFFAOYSA-N
XLogP0.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-5-piperazin-1-yl-1,2,4-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 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine?
The IUPAC name of 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine (CID 116823995) is 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine.
What is the SMILES notation for 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine?
The canonical SMILES for 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine is CC(C)(C)c1nncc(N2CCNCC2)n1.
What is the InChIKey of 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine?
The InChIKey is WRUGMGKTRGXUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-11(2,3)10-14-9(8-13-15-10)16-6-4-12-5-7-16/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine?
3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine has a molecular weight of 221.31 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-piperazin-1-yl-1,2,4-triazine is sourced from PubChem (CID 116823995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).