1-piperazin-1-yl-2H-triazine

C7H13N5 — CID 67860341

IUPAC1-piperazin-1-yl-2H-triazine
SMILESC1=CN(N2CCNCC2)NN=C1
InChIInChI=1S/C7H13N5/c1-2-9-10-12(5-1)11-6-3-8-4-7-11/h1-2,5,8,10H,3-4,6-7H2
InChIKeyUGVYUAFEWOXEOY-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.87
Rot. Bonds1

About 1-piperazin-1-yl-2H-triazine

1-piperazin-1-yl-2H-triazine (PubChem CID 67860341) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-piperazin-1-yl-2H-triazine.

Molecular Properties

Compound Name1-piperazin-1-yl-2H-triazine
PubChem CID67860341
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-piperazin-1-yl-2H-triazine
SMILESC1=CN(N2CCNCC2)NN=C1
InChIInChI=1S/C7H13N5/c1-2-9-10-12(5-1)11-6-3-8-4-7-11/h1-2,5,8,10H,3-4,6-7H2
InChIKeyUGVYUAFEWOXEOY-UHFFFAOYSA-N
XLogP-0.87
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-piperazin-1-yl-2H-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 1-piperazin-1-yl-2H-triazine?
The IUPAC name of 1-piperazin-1-yl-2H-triazine (CID 67860341) is 1-piperazin-1-yl-2H-triazine.
What is the SMILES notation for 1-piperazin-1-yl-2H-triazine?
The canonical SMILES for 1-piperazin-1-yl-2H-triazine is C1=CN(N2CCNCC2)NN=C1.
What is the InChIKey of 1-piperazin-1-yl-2H-triazine?
The InChIKey is UGVYUAFEWOXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-2-9-10-12(5-1)11-6-3-8-4-7-11/h1-2,5,8,10H,3-4,6-7H2.
What are the key properties of 1-piperazin-1-yl-2H-triazine?
1-piperazin-1-yl-2H-triazine has a molecular weight of 167.22 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2H-triazine is sourced from PubChem (CID 67860341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).