5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine

C13H20N2O — CID 157325595

IUPAC5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine
SMILESCC(C)(C)c1cnnc(CC2CCOC2)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)11-7-12(15-14-8-11)6-10-4-5-16-9-10/h7-8,10H,4-6,9H2,1-3H3
InChIKeyDMGKPVCDEVPKNM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.35
Rot. Bonds2

About 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine

5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine (PubChem CID 157325595) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine.

Molecular Properties

Compound Name5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine
PubChem CID157325595
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine
SMILESCC(C)(C)c1cnnc(CC2CCOC2)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)11-7-12(15-14-8-11)6-10-4-5-16-9-10/h7-8,10H,4-6,9H2,1-3H3
InChIKeyDMGKPVCDEVPKNM-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine?
The IUPAC name of 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine (CID 157325595) is 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine.
What is the SMILES notation for 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine?
The canonical SMILES for 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine is CC(C)(C)c1cnnc(CC2CCOC2)c1.
What is the InChIKey of 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine?
The InChIKey is DMGKPVCDEVPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)11-7-12(15-14-8-11)6-10-4-5-16-9-10/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine?
5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine has a molecular weight of 220.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(oxolan-3-ylmethyl)pyridazine is sourced from PubChem (CID 157325595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).