3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine

C13H19N5 — CID 175824479

IUPAC3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine
SMILESC1=c2ccccc2=NNN1CCN1CCNCC1
InChIInChI=1S/C13H19N5/c1-2-4-13-12(3-1)11-18(16-15-13)10-9-17-7-5-14-6-8-17/h1-4,11,14,16H,5-10H2
InChIKeyGDBORGIEUXEUHA-UHFFFAOYSA-N
MW245.33 g/mol
LogP-1.32
Rot. Bonds3

About 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine

3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine (PubChem CID 175824479) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine
PubChem CID175824479
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine
SMILESC1=c2ccccc2=NNN1CCN1CCNCC1
InChIInChI=1S/C13H19N5/c1-2-4-13-12(3-1)11-18(16-15-13)10-9-17-7-5-14-6-8-17/h1-4,11,14,16H,5-10H2
InChIKeyGDBORGIEUXEUHA-UHFFFAOYSA-N
XLogP-1.32
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine?
The IUPAC name of 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine (CID 175824479) is 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine.
What is the SMILES notation for 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine?
The canonical SMILES for 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine is C1=c2ccccc2=NNN1CCN1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine?
The InChIKey is GDBORGIEUXEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-4-13-12(3-1)11-18(16-15-13)10-9-17-7-5-14-6-8-17/h1-4,11,14,16H,5-10H2.
What are the key properties of 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine?
3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine has a molecular weight of 245.33 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethyl)-2H-1,2,3-benzotriazine is sourced from PubChem (CID 175824479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).