2-chloro-4-piperazin-1-yl-1,3,5-triazine

C7H10ClN5 — CID 54357139

IUPAC2-chloro-4-piperazin-1-yl-1,3,5-triazine
SMILESClc1ncnc(N2CCNCC2)n1
InChIInChI=1S/C7H10ClN5/c8-6-10-5-11-7(12-6)13-3-1-9-2-4-13/h5,9H,1-4H2
InChIKeyUJWSZMSYWCRILM-UHFFFAOYSA-N
MW199.64 g/mol
LogP-0.07
Rot. Bonds1

About 2-chloro-4-piperazin-1-yl-1,3,5-triazine

2-chloro-4-piperazin-1-yl-1,3,5-triazine (PubChem CID 54357139) has the molecular formula C7H10ClN5 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-4-piperazin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-piperazin-1-yl-1,3,5-triazine
PubChem CID54357139
Molecular FormulaC7H10ClN5
Molecular Weight199.64 g/mol
Exact Mass199.06
IUPAC Name2-chloro-4-piperazin-1-yl-1,3,5-triazine
SMILESClc1ncnc(N2CCNCC2)n1
InChIInChI=1S/C7H10ClN5/c8-6-10-5-11-7(12-6)13-3-1-9-2-4-13/h5,9H,1-4H2
InChIKeyUJWSZMSYWCRILM-UHFFFAOYSA-N
XLogP-0.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperazin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-piperazin-1-yl-1,3,5-triazine (CID 54357139) is 2-chloro-4-piperazin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-piperazin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-piperazin-1-yl-1,3,5-triazine is Clc1ncnc(N2CCNCC2)n1.
What is the InChIKey of 2-chloro-4-piperazin-1-yl-1,3,5-triazine?
The InChIKey is UJWSZMSYWCRILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5/c8-6-10-5-11-7(12-6)13-3-1-9-2-4-13/h5,9H,1-4H2.
What are the key properties of 2-chloro-4-piperazin-1-yl-1,3,5-triazine?
2-chloro-4-piperazin-1-yl-1,3,5-triazine has a molecular weight of 199.64 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperazin-1-yl-1,3,5-triazine is sourced from PubChem (CID 54357139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).