3,4,5-tritert-butyl-6-propan-2-ylpyridazine

C19H34N2 — CID 15099146

IUPAC3,4,5-tritert-butyl-6-propan-2-ylpyridazine
SMILESCC(C)c1nnc(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H34N2/c1-12(2)15-13(17(3,4)5)14(18(6,7)8)16(21-20-15)19(9,10)11/h12H,1-11H3
InChIKeyJXAKDYXFTBCDRP-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.49
Rot. Bonds1

About 3,4,5-tritert-butyl-6-propan-2-ylpyridazine

3,4,5-tritert-butyl-6-propan-2-ylpyridazine (PubChem CID 15099146) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3,4,5-tritert-butyl-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3,4,5-tritert-butyl-6-propan-2-ylpyridazine
PubChem CID15099146
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3,4,5-tritert-butyl-6-propan-2-ylpyridazine
SMILESCC(C)c1nnc(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H34N2/c1-12(2)15-13(17(3,4)5)14(18(6,7)8)16(21-20-15)19(9,10)11/h12H,1-11H3
InChIKeyJXAKDYXFTBCDRP-UHFFFAOYSA-N
XLogP5.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tritert-butyl-6-propan-2-ylpyridazine?
The IUPAC name of 3,4,5-tritert-butyl-6-propan-2-ylpyridazine (CID 15099146) is 3,4,5-tritert-butyl-6-propan-2-ylpyridazine.
What is the SMILES notation for 3,4,5-tritert-butyl-6-propan-2-ylpyridazine?
The canonical SMILES for 3,4,5-tritert-butyl-6-propan-2-ylpyridazine is CC(C)c1nnc(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 3,4,5-tritert-butyl-6-propan-2-ylpyridazine?
The InChIKey is JXAKDYXFTBCDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-12(2)15-13(17(3,4)5)14(18(6,7)8)16(21-20-15)19(9,10)11/h12H,1-11H3.
What are the key properties of 3,4,5-tritert-butyl-6-propan-2-ylpyridazine?
3,4,5-tritert-butyl-6-propan-2-ylpyridazine has a molecular weight of 290.50 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tritert-butyl-6-propan-2-ylpyridazine is sourced from PubChem (CID 15099146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).