6-tert-butyl-4-methyl-3,4-dihydropyridazine

C9H16N2 — CID 139475229

IUPAC6-tert-butyl-4-methyl-3,4-dihydropyridazine
SMILESCC1C=C(C(C)(C)C)N=NC1
InChIInChI=1S/C9H16N2/c1-7-5-8(9(2,3)4)11-10-6-7/h5,7H,6H2,1-4H3
InChIKeyZKICBGVUTZNDDO-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.02
Rot. Bonds

About 6-tert-butyl-4-methyl-3,4-dihydropyridazine

6-tert-butyl-4-methyl-3,4-dihydropyridazine (PubChem CID 139475229) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-3,4-dihydropyridazine.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-3,4-dihydropyridazine
PubChem CID139475229
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-tert-butyl-4-methyl-3,4-dihydropyridazine
SMILESCC1C=C(C(C)(C)C)N=NC1
InChIInChI=1S/C9H16N2/c1-7-5-8(9(2,3)4)11-10-6-7/h5,7H,6H2,1-4H3
InChIKeyZKICBGVUTZNDDO-UHFFFAOYSA-N
XLogP3.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-3,4-dihydropyridazine?
The IUPAC name of 6-tert-butyl-4-methyl-3,4-dihydropyridazine (CID 139475229) is 6-tert-butyl-4-methyl-3,4-dihydropyridazine.
What is the SMILES notation for 6-tert-butyl-4-methyl-3,4-dihydropyridazine?
The canonical SMILES for 6-tert-butyl-4-methyl-3,4-dihydropyridazine is CC1C=C(C(C)(C)C)N=NC1.
What is the InChIKey of 6-tert-butyl-4-methyl-3,4-dihydropyridazine?
The InChIKey is ZKICBGVUTZNDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-5-8(9(2,3)4)11-10-6-7/h5,7H,6H2,1-4H3.
What are the key properties of 6-tert-butyl-4-methyl-3,4-dihydropyridazine?
6-tert-butyl-4-methyl-3,4-dihydropyridazine has a molecular weight of 152.24 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-3,4-dihydropyridazine is sourced from PubChem (CID 139475229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).