8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine

C15H25N3 — CID 155278172

IUPAC8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine
SMILESCC(C)(C)CN1C=CN2C=CC=C(C(C)(C)C)N21
InChIInChI=1S/C15H25N3/c1-14(2,3)12-17-11-10-16-9-7-8-13(18(16)17)15(4,5)6/h7-11H,12H2,1-6H3
InChIKeyAFCKDEJVEIQYOS-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.71
Rot. Bonds1

About 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine

8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine (PubChem CID 155278172) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine.

Molecular Properties

Compound Name8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine
PubChem CID155278172
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine
SMILESCC(C)(C)CN1C=CN2C=CC=C(C(C)(C)C)N21
InChIInChI=1S/C15H25N3/c1-14(2,3)12-17-11-10-16-9-7-8-13(18(16)17)15(4,5)6/h7-11H,12H2,1-6H3
InChIKeyAFCKDEJVEIQYOS-UHFFFAOYSA-N
XLogP3.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine?
The IUPAC name of 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine (CID 155278172) is 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine.
What is the SMILES notation for 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine?
The canonical SMILES for 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine is CC(C)(C)CN1C=CN2C=CC=C(C(C)(C)C)N21.
What is the InChIKey of 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine?
The InChIKey is AFCKDEJVEIQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2,3)12-17-11-10-16-9-7-8-13(18(16)17)15(4,5)6/h7-11H,12H2,1-6H3.
What are the key properties of 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine?
8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine has a molecular weight of 247.39 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-(2,2-dimethylpropyl)triazolo[1,2-a]pyridazine is sourced from PubChem (CID 155278172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).