2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine

C16H24N2 — CID 67835472

IUPAC2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine
SMILESCc1cc(C)c(C2CN3CCCCN3C2)c(C)c1
InChIInChI=1S/C16H24N2/c1-12-8-13(2)16(14(3)9-12)15-10-17-6-4-5-7-18(17)11-15/h8-9,15H,4-7,10-11H2,1-3H3
InChIKeyHEXYBRGTLZREAH-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.02
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine

2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine (PubChem CID 67835472) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine
PubChem CID67835472
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine
SMILESCc1cc(C)c(C2CN3CCCCN3C2)c(C)c1
InChIInChI=1S/C16H24N2/c1-12-8-13(2)16(14(3)9-12)15-10-17-6-4-5-7-18(17)11-15/h8-9,15H,4-7,10-11H2,1-3H3
InChIKeyHEXYBRGTLZREAH-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine (CID 67835472) is 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine is Cc1cc(C)c(C2CN3CCCCN3C2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine?
The InChIKey is HEXYBRGTLZREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-8-13(2)16(14(3)9-12)15-10-17-6-4-5-7-18(17)11-15/h8-9,15H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine?
2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine has a molecular weight of 244.38 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine is sourced from PubChem (CID 67835472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).