6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C25H26N6 — CID 166884300

IUPAC6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC=C(Cc1ccc(Cc2ccccc2)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C25H26N6/c1-20(17-22-7-9-23(10-8-22)18-21-5-3-2-4-6-21)29-13-15-30(16-14-29)25-12-11-24-27-26-19-31(24)28-25/h2-12,19H,1,13-18H2
InChIKeyBKMNZJSOFXBMCV-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.59
Rot. Bonds6

About 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166884300) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166884300
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC=C(Cc1ccc(Cc2ccccc2)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C25H26N6/c1-20(17-22-7-9-23(10-8-22)18-21-5-3-2-4-6-21)29-13-15-30(16-14-29)25-12-11-24-27-26-19-31(24)28-25/h2-12,19H,1,13-18H2
InChIKeyBKMNZJSOFXBMCV-UHFFFAOYSA-N
XLogP3.59
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 166884300) is 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is C=C(Cc1ccc(Cc2ccccc2)cc1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BKMNZJSOFXBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-20(17-22-7-9-23(10-8-22)18-21-5-3-2-4-6-21)29-13-15-30(16-14-29)25-12-11-24-27-26-19-31(24)28-25/h2-12,19H,1,13-18H2.
What are the key properties of 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 410.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(4-benzylphenyl)prop-1-en-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166884300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).