5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine

C9H18N2 — CID 170083369

IUPAC5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine
SMILESCN1CC=C(C(C)(C)C)CN1
InChIInChI=1S/C9H18N2/c1-9(2,3)8-5-6-11(4)10-7-8/h5,10H,6-7H2,1-4H3
InChIKeyNNHQYXAXMNRVLD-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.41
Rot. Bonds

About 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine

5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine (PubChem CID 170083369) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine
PubChem CID170083369
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine
SMILESCN1CC=C(C(C)(C)C)CN1
InChIInChI=1S/C9H18N2/c1-9(2,3)8-5-6-11(4)10-7-8/h5,10H,6-7H2,1-4H3
InChIKeyNNHQYXAXMNRVLD-UHFFFAOYSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine?
The IUPAC name of 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine (CID 170083369) is 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine?
The canonical SMILES for 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine is CN1CC=C(C(C)(C)C)CN1.
What is the InChIKey of 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine?
The InChIKey is NNHQYXAXMNRVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)8-5-6-11(4)10-7-8/h5,10H,6-7H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine?
5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine has a molecular weight of 154.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine is sourced from PubChem (CID 170083369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).