3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine

C11H18N2 — CID 155051776

IUPAC3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine
SMILESC=CC1=CNN(C)C(C(C)(C)C)=C1
InChIInChI=1S/C11H18N2/c1-6-9-7-10(11(2,3)4)13(5)12-8-9/h6-8,12H,1H2,2-5H3
InChIKeyKOWNADICFHTWJU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds1

About 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine

3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine (PubChem CID 155051776) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine.

Molecular Properties

Compound Name3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine
PubChem CID155051776
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine
SMILESC=CC1=CNN(C)C(C(C)(C)C)=C1
InChIInChI=1S/C11H18N2/c1-6-9-7-10(11(2,3)4)13(5)12-8-9/h6-8,12H,1H2,2-5H3
InChIKeyKOWNADICFHTWJU-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine?
The IUPAC name of 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine (CID 155051776) is 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine.
What is the SMILES notation for 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine?
The canonical SMILES for 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine is C=CC1=CNN(C)C(C(C)(C)C)=C1.
What is the InChIKey of 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine?
The InChIKey is KOWNADICFHTWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-9-7-10(11(2,3)4)13(5)12-8-9/h6-8,12H,1H2,2-5H3.
What are the key properties of 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine?
3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethenyl-2-methyl-1H-pyridazine is sourced from PubChem (CID 155051776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).