3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine

C18H21N3 — CID 67179789

IUPAC3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine
SMILESCc1c(Cc2ccccc2)nnc(C2=CCNCC2)c1C
InChIInChI=1S/C18H21N3/c1-13-14(2)18(16-8-10-19-11-9-16)21-20-17(13)12-15-6-4-3-5-7-15/h3-8,19H,9-12H2,1-2H3
InChIKeyHIZWCHNSYAZPSF-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.06
Rot. Bonds3

About 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine

3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine (PubChem CID 67179789) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine.

Molecular Properties

Compound Name3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine
PubChem CID67179789
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine
SMILESCc1c(Cc2ccccc2)nnc(C2=CCNCC2)c1C
InChIInChI=1S/C18H21N3/c1-13-14(2)18(16-8-10-19-11-9-16)21-20-17(13)12-15-6-4-3-5-7-15/h3-8,19H,9-12H2,1-2H3
InChIKeyHIZWCHNSYAZPSF-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)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 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine?
The IUPAC name of 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine (CID 67179789) is 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine.
What is the SMILES notation for 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine?
The canonical SMILES for 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine is Cc1c(Cc2ccccc2)nnc(C2=CCNCC2)c1C.
What is the InChIKey of 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine?
The InChIKey is HIZWCHNSYAZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-14(2)18(16-8-10-19-11-9-16)21-20-17(13)12-15-6-4-3-5-7-15/h3-8,19H,9-12H2,1-2H3.
What are the key properties of 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine?
3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine has a molecular weight of 279.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5-dimethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine is sourced from PubChem (CID 67179789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).