3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine

C20H24N6 — CID 58250575

IUPAC3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine
SMILESCc1nnc(-c2c(C)nnc(C)c2-c2nnc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C20H24N6/c1-9-11(3)19(25-21-13(9)5)17-15(7)23-24-16(8)18(17)20-12(4)10(2)14(6)22-26-20/h1-8H3
InChIKeyMRUVQJFYNKUQJX-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.86
Rot. Bonds2

About 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine

3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine (PubChem CID 58250575) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine.

Molecular Properties

Compound Name3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine
PubChem CID58250575
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine
SMILESCc1nnc(-c2c(C)nnc(C)c2-c2nnc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C20H24N6/c1-9-11(3)19(25-21-13(9)5)17-15(7)23-24-16(8)18(17)20-12(4)10(2)14(6)22-26-20/h1-8H3
InChIKeyMRUVQJFYNKUQJX-UHFFFAOYSA-N
XLogP3.86
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine?
The IUPAC name of 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine (CID 58250575) is 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine.
What is the SMILES notation for 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine?
The canonical SMILES for 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine is Cc1nnc(-c2c(C)nnc(C)c2-c2nnc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine?
The InChIKey is MRUVQJFYNKUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-9-11(3)19(25-21-13(9)5)17-15(7)23-24-16(8)18(17)20-12(4)10(2)14(6)22-26-20/h1-8H3.
What are the key properties of 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine?
3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine has a molecular weight of 348.45 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,5-bis(4,5,6-trimethylpyridazin-3-yl)pyridazine is sourced from PubChem (CID 58250575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).