8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C17H20N6 — CID 27240940

IUPAC8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)c2nncn2n1
InChIInChI=1S/C17H20N6/c1-14-11-16(17-19-18-13-23(17)20-14)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyRQIRNVSGYIIGSM-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.75
Rot. Bonds3

About 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 27240940) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID27240940
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)c2nncn2n1
InChIInChI=1S/C17H20N6/c1-14-11-16(17-19-18-13-23(17)20-14)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyRQIRNVSGYIIGSM-UHFFFAOYSA-N
XLogP1.75
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 27240940) is 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(N2CCN(Cc3ccccc3)CC2)c2nncn2n1.
What is the InChIKey of 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RQIRNVSGYIIGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-14-11-16(17-19-18-13-23(17)20-14)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 308.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-benzylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 27240940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).