4-tert-butyl-4,5-dihydropyridazine

C8H14N2 — CID 123324049

IUPAC4-tert-butyl-4,5-dihydropyridazine
SMILESCC(C)(C)C1C=NN=CC1
InChIInChI=1S/C8H14N2/c1-8(2,3)7-4-5-9-10-6-7/h5-7H,4H2,1-3H3
InChIKeyYAMAVFNJVQPVPX-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.11
Rot. Bonds

About 4-tert-butyl-4,5-dihydropyridazine

4-tert-butyl-4,5-dihydropyridazine (PubChem CID 123324049) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-tert-butyl-4,5-dihydropyridazine.

Molecular Properties

Compound Name4-tert-butyl-4,5-dihydropyridazine
PubChem CID123324049
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-tert-butyl-4,5-dihydropyridazine
SMILESCC(C)(C)C1C=NN=CC1
InChIInChI=1S/C8H14N2/c1-8(2,3)7-4-5-9-10-6-7/h5-7H,4H2,1-3H3
InChIKeyYAMAVFNJVQPVPX-UHFFFAOYSA-N
XLogP2.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4,5-dihydropyridazine?
The IUPAC name of 4-tert-butyl-4,5-dihydropyridazine (CID 123324049) is 4-tert-butyl-4,5-dihydropyridazine.
What is the SMILES notation for 4-tert-butyl-4,5-dihydropyridazine?
The canonical SMILES for 4-tert-butyl-4,5-dihydropyridazine is CC(C)(C)C1C=NN=CC1.
What is the InChIKey of 4-tert-butyl-4,5-dihydropyridazine?
The InChIKey is YAMAVFNJVQPVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)7-4-5-9-10-6-7/h5-7H,4H2,1-3H3.
What are the key properties of 4-tert-butyl-4,5-dihydropyridazine?
4-tert-butyl-4,5-dihydropyridazine has a molecular weight of 138.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4,5-dihydropyridazine is sourced from PubChem (CID 123324049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).