3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine

C30H40N2 — CID 58250587

IUPAC3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine
SMILESCCCc1cc(C)cc(CCC)c1-c1ccc(-c2c(CCC)cc(C)cc2CCC)nn1
InChIInChI=1S/C30H40N2/c1-7-11-23-17-21(5)18-24(12-8-2)29(23)27-15-16-28(32-31-27)30-25(13-9-3)19-22(6)20-26(30)14-10-4/h15-20H,7-14H2,1-6H3
InChIKeyBLPMBXGKDMSIED-UHFFFAOYSA-N
MW428.66 g/mol
LogP8.24
Rot. Bonds10

About 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine

3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine (PubChem CID 58250587) has the molecular formula C30H40N2 and a molecular weight of 428.66 g/mol. Its IUPAC name is 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine
PubChem CID58250587
Molecular FormulaC30H40N2
Molecular Weight428.66 g/mol
Exact Mass428.32
IUPAC Name3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine
SMILESCCCc1cc(C)cc(CCC)c1-c1ccc(-c2c(CCC)cc(C)cc2CCC)nn1
InChIInChI=1S/C30H40N2/c1-7-11-23-17-21(5)18-24(12-8-2)29(23)27-15-16-28(32-31-27)30-25(13-9-3)19-22(6)20-26(30)14-10-4/h15-20H,7-14H2,1-6H3
InChIKeyBLPMBXGKDMSIED-UHFFFAOYSA-N
XLogP8.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine?
The IUPAC name of 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine (CID 58250587) is 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine.
What is the SMILES notation for 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine?
The canonical SMILES for 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine is CCCc1cc(C)cc(CCC)c1-c1ccc(-c2c(CCC)cc(C)cc2CCC)nn1.
What is the InChIKey of 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine?
The InChIKey is BLPMBXGKDMSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2/c1-7-11-23-17-21(5)18-24(12-8-2)29(23)27-15-16-28(32-31-27)30-25(13-9-3)19-22(6)20-26(30)14-10-4/h15-20H,7-14H2,1-6H3.
What are the key properties of 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine?
3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine has a molecular weight of 428.66 g/mol, XLogP of 8.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methyl-2,6-dipropylphenyl)pyridazine is sourced from PubChem (CID 58250587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).