propane;3,4,6-trimethylpyridazine

C10H18N2 — CID 143900357

IUPACpropane;3,4,6-trimethylpyridazine
SMILESCCC.Cc1cc(C)c(C)nn1
InChIInChI=1S/C7H10N2.C3H8/c1-5-4-6(2)8-9-7(5)3;1-3-2/h4H,1-3H3;3H2,1-2H3
InChIKeyRYAZBJMBQRUEHR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.82
Rot. Bonds

About propane;3,4,6-trimethylpyridazine

propane;3,4,6-trimethylpyridazine (PubChem CID 143900357) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is propane;3,4,6-trimethylpyridazine.

Molecular Properties

Compound Namepropane;3,4,6-trimethylpyridazine
PubChem CID143900357
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Namepropane;3,4,6-trimethylpyridazine
SMILESCCC.Cc1cc(C)c(C)nn1
InChIInChI=1S/C7H10N2.C3H8/c1-5-4-6(2)8-9-7(5)3;1-3-2/h4H,1-3H3;3H2,1-2H3
InChIKeyRYAZBJMBQRUEHR-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane;3,4,6-trimethylpyridazine?
The IUPAC name of propane;3,4,6-trimethylpyridazine (CID 143900357) is propane;3,4,6-trimethylpyridazine.
What is the SMILES notation for propane;3,4,6-trimethylpyridazine?
The canonical SMILES for propane;3,4,6-trimethylpyridazine is CCC.Cc1cc(C)c(C)nn1.
What is the InChIKey of propane;3,4,6-trimethylpyridazine?
The InChIKey is RYAZBJMBQRUEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C3H8/c1-5-4-6(2)8-9-7(5)3;1-3-2/h4H,1-3H3;3H2,1-2H3.
What are the key properties of propane;3,4,6-trimethylpyridazine?
propane;3,4,6-trimethylpyridazine has a molecular weight of 166.27 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3,4,6-trimethylpyridazine is sourced from PubChem (CID 143900357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).