4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene

C24H38N2 — CID 160536856

IUPAC4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)cc1.Cc1c(C(C)C)nnc(C(C)C)c1C
InChIInChI=1S/C12H20N2.C12H18/c1-7(2)11-9(5)10(6)12(8(3)4)14-13-11;1-9(2)11-5-7-12(8-6-11)10(3)4/h7-8H,1-6H3;5-10H,1-4H3
InChIKeyQWGPBVNELYGCFV-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.27
Rot. Bonds4

About 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene

4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene (PubChem CID 160536856) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene
PubChem CID160536856
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene
SMILESCC(C)c1ccc(C(C)C)cc1.Cc1c(C(C)C)nnc(C(C)C)c1C
InChIInChI=1S/C12H20N2.C12H18/c1-7(2)11-9(5)10(6)12(8(3)4)14-13-11;1-9(2)11-5-7-12(8-6-11)10(3)4/h7-8H,1-6H3;5-10H,1-4H3
InChIKeyQWGPBVNELYGCFV-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene?
The IUPAC name of 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene (CID 160536856) is 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene?
The canonical SMILES for 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene is CC(C)c1ccc(C(C)C)cc1.Cc1c(C(C)C)nnc(C(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene?
The InChIKey is QWGPBVNELYGCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C12H18/c1-7(2)11-9(5)10(6)12(8(3)4)14-13-11;1-9(2)11-5-7-12(8-6-11)10(3)4/h7-8H,1-6H3;5-10H,1-4H3.
What are the key properties of 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene?
4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene has a molecular weight of 354.58 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 160536856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).