5-tert-butyl-3-propan-2-yloxypyridazine

C11H18N2O — CID 168743205

IUPAC5-tert-butyl-3-propan-2-yloxypyridazine
SMILESCC(C)Oc1cc(C(C)(C)C)cnn1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-6-9(7-12-13-10)11(3,4)5/h6-8H,1-5H3
InChIKeyJKPILOOZEDLIMW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.56
Rot. Bonds2

About 5-tert-butyl-3-propan-2-yloxypyridazine

5-tert-butyl-3-propan-2-yloxypyridazine (PubChem CID 168743205) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-tert-butyl-3-propan-2-yloxypyridazine.

Molecular Properties

Compound Name5-tert-butyl-3-propan-2-yloxypyridazine
PubChem CID168743205
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-tert-butyl-3-propan-2-yloxypyridazine
SMILESCC(C)Oc1cc(C(C)(C)C)cnn1
InChIInChI=1S/C11H18N2O/c1-8(2)14-10-6-9(7-12-13-10)11(3,4)5/h6-8H,1-5H3
InChIKeyJKPILOOZEDLIMW-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-4-methyl-2-propan-2-yloxypyridine
CID 176755382
5-tert-butyl-3-chloropyridazine
CID 138722408
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
CID 80949300
5-tert-butyl-3-nitropyridazine
CID 175575253
3-methyl-1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]butan-2-one
CID 176580799
N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridazin-3-amine
CID 126818890
5-chloro-3-(difluoromethoxy)pyridazine
CID 91286210
1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
CID 114093682
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
2-methoxy-4,6-di(propan-2-yloxy)pyrimidine
CID 86016297
2-[3-(2-hydroxypropan-2-yl)-5-propan-2-yloxyphenyl]propan-2-ol
CID 59095231
3-tert-butyl-5-propan-2-ylpyridine;ethane
CID 162747621

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-propan-2-yloxypyridazine?
The IUPAC name of 5-tert-butyl-3-propan-2-yloxypyridazine (CID 168743205) is 5-tert-butyl-3-propan-2-yloxypyridazine.
What is the SMILES notation for 5-tert-butyl-3-propan-2-yloxypyridazine?
The canonical SMILES for 5-tert-butyl-3-propan-2-yloxypyridazine is CC(C)Oc1cc(C(C)(C)C)cnn1.
What is the InChIKey of 5-tert-butyl-3-propan-2-yloxypyridazine?
The InChIKey is JKPILOOZEDLIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)14-10-6-9(7-12-13-10)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 5-tert-butyl-3-propan-2-yloxypyridazine?
5-tert-butyl-3-propan-2-yloxypyridazine has a molecular weight of 194.28 g/mol, XLogP of 2.56, 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-propan-2-yloxypyridazine is sourced from PubChem (CID 168743205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).