7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H18N6 — CID 53189637

IUPAC7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1
InChIInChI=1S/C16H18N6/c1-2-4-14(5-3-1)12-20-6-8-21(9-7-20)15-10-16-19-17-13-22(16)18-11-15/h1-5,10-11,13H,6-9,12H2
InChIKeySXZVZDFNNGZJEO-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.45
Rot. Bonds3

About 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189637) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189637
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1
InChIInChI=1S/C16H18N6/c1-2-4-14(5-3-1)12-20-6-8-21(9-7-20)15-10-16-19-17-13-22(16)18-11-15/h1-5,10-11,13H,6-9,12H2
InChIKeySXZVZDFNNGZJEO-UHFFFAOYSA-N
XLogP1.45
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189637) is 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is c1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SXZVZDFNNGZJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-4-14(5-3-1)12-20-6-8-21(9-7-20)15-10-16-19-17-13-22(16)18-11-15/h1-5,10-11,13H,6-9,12H2.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 294.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).