1-(3-phenyltriazol-4-yl)piperazine

C12H15N5 — CID 59511215

IUPAC1-(3-phenyltriazol-4-yl)piperazine
SMILESc1ccc(-n2nncc2N2CCNCC2)cc1
InChIInChI=1S/C12H15N5/c1-2-4-11(5-3-1)17-12(10-14-15-17)16-8-6-13-7-9-16/h1-5,10,13H,6-9H2
InChIKeyDJZWWECWVISFRL-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.68
Rot. Bonds2

About 1-(3-phenyltriazol-4-yl)piperazine

1-(3-phenyltriazol-4-yl)piperazine (PubChem CID 59511215) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)piperazine
PubChem CID59511215
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name1-(3-phenyltriazol-4-yl)piperazine
SMILESc1ccc(-n2nncc2N2CCNCC2)cc1
InChIInChI=1S/C12H15N5/c1-2-4-11(5-3-1)17-12(10-14-15-17)16-8-6-13-7-9-16/h1-5,10,13H,6-9H2
InChIKeyDJZWWECWVISFRL-UHFFFAOYSA-N
XLogP0.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)piperazine?
The IUPAC name of 1-(3-phenyltriazol-4-yl)piperazine (CID 59511215) is 1-(3-phenyltriazol-4-yl)piperazine.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)piperazine?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)piperazine is c1ccc(-n2nncc2N2CCNCC2)cc1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)piperazine?
The InChIKey is DJZWWECWVISFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-4-11(5-3-1)17-12(10-14-15-17)16-8-6-13-7-9-16/h1-5,10,13H,6-9H2.
What are the key properties of 1-(3-phenyltriazol-4-yl)piperazine?
1-(3-phenyltriazol-4-yl)piperazine has a molecular weight of 229.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)piperazine is sourced from PubChem (CID 59511215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).