1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole

C13H19N5 — CID 10467064

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole
SMILESCN1CCN(CCn2nnc3ccccc32)CC1
InChIInChI=1S/C13H19N5/c1-16-6-8-17(9-7-16)10-11-18-13-5-3-2-4-12(13)14-15-18/h2-5H,6-11H2,1H3
InChIKeyBEPIPZRDGJQRJS-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole

1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole (PubChem CID 10467064) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole
PubChem CID10467064
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole
SMILESCN1CCN(CCn2nnc3ccccc32)CC1
InChIInChI=1S/C13H19N5/c1-16-6-8-17(9-7-16)10-11-18-13-5-3-2-4-12(13)14-15-18/h2-5H,6-11H2,1H3
InChIKeyBEPIPZRDGJQRJS-UHFFFAOYSA-N
XLogP0.68
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole (CID 10467064) is 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole is CN1CCN(CCn2nnc3ccccc32)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole?
The InChIKey is BEPIPZRDGJQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-16-6-8-17(9-7-16)10-11-18-13-5-3-2-4-12(13)14-15-18/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole?
1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole has a molecular weight of 245.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]benzotriazole is sourced from PubChem (CID 10467064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).