8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine

C21H21N3 — CID 58671539

IUPAC8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
SMILESCC1Cc2cc(-c3ccccc3)nnc2N(Cc2ccccc2)C1
InChIInChI=1S/C21H21N3/c1-16-12-19-13-20(18-10-6-3-7-11-18)22-23-21(19)24(14-16)15-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3
InChIKeyOROWQIGFHCSKRC-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.34
Rot. Bonds3

About 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine

8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine (PubChem CID 58671539) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
PubChem CID58671539
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
SMILESCC1Cc2cc(-c3ccccc3)nnc2N(Cc2ccccc2)C1
InChIInChI=1S/C21H21N3/c1-16-12-19-13-20(18-10-6-3-7-11-18)22-23-21(19)24(14-16)15-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3
InChIKeyOROWQIGFHCSKRC-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The IUPAC name of 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine (CID 58671539) is 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine.
What is the SMILES notation for 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The canonical SMILES for 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine is CC1Cc2cc(-c3ccccc3)nnc2N(Cc2ccccc2)C1.
What is the InChIKey of 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
The InChIKey is OROWQIGFHCSKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-16-12-19-13-20(18-10-6-3-7-11-18)22-23-21(19)24(14-16)15-17-8-4-2-5-9-17/h2-11,13,16H,12,14-15H2,1H3.
What are the key properties of 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine?
8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine has a molecular weight of 315.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine is sourced from PubChem (CID 58671539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).