3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine

C25H22N2 — CID 70949341

IUPAC3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine
SMILESCc1cccc(-c2cc(C)c(-c3ccccc3Cc3ccccc3)nn2)c1
InChIInChI=1S/C25H22N2/c1-18-9-8-13-22(15-18)24-16-19(2)25(27-26-24)23-14-7-6-12-21(23)17-20-10-4-3-5-11-20/h3-16H,17H2,1-2H3
InChIKeyOFWXIHIITCUDGL-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.02
Rot. Bonds4

About 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine

3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine (PubChem CID 70949341) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine.

Molecular Properties

Compound Name3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine
PubChem CID70949341
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine
SMILESCc1cccc(-c2cc(C)c(-c3ccccc3Cc3ccccc3)nn2)c1
InChIInChI=1S/C25H22N2/c1-18-9-8-13-22(15-18)24-16-19(2)25(27-26-24)23-14-7-6-12-21(23)17-20-10-4-3-5-11-20/h3-16H,17H2,1-2H3
InChIKeyOFWXIHIITCUDGL-UHFFFAOYSA-N
XLogP6.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-benzylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetrazine
CID 44594093
3-chloro-4-methyl-6-(3-methylphenyl)pyridazine
CID 14450223
4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
CID 19607190
5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine
CID 139606547
5-(2-benzylphenyl)-1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine
CID 139606546
3,4-dimethyl-6-phenylpyridazine
CID 14040320
5-benzyl-4-methyl-2-phenylpyridine
CID 162710232
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine?
The IUPAC name of 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine (CID 70949341) is 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine.
What is the SMILES notation for 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine?
The canonical SMILES for 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine is Cc1cccc(-c2cc(C)c(-c3ccccc3Cc3ccccc3)nn2)c1.
What is the InChIKey of 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine?
The InChIKey is OFWXIHIITCUDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-18-9-8-13-22(15-18)24-16-19(2)25(27-26-24)23-14-7-6-12-21(23)17-20-10-4-3-5-11-20/h3-16H,17H2,1-2H3.
What are the key properties of 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine?
3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine has a molecular weight of 350.47 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine is sourced from PubChem (CID 70949341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).