1-tert-butyl-6-propan-2-ylidenepyridazine

C11H18N2 — CID 118336302

IUPAC1-tert-butyl-6-propan-2-ylidenepyridazine
SMILESCC(C)=C1C=CC=NN1C(C)(C)C
InChIInChI=1S/C11H18N2/c1-9(2)10-7-6-8-12-13(10)11(3,4)5/h6-8H,1-5H3
InChIKeyJFAYUQGIEHOXRU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds

About 1-tert-butyl-6-propan-2-ylidenepyridazine

1-tert-butyl-6-propan-2-ylidenepyridazine (PubChem CID 118336302) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-tert-butyl-6-propan-2-ylidenepyridazine.

Molecular Properties

Compound Name1-tert-butyl-6-propan-2-ylidenepyridazine
PubChem CID118336302
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-tert-butyl-6-propan-2-ylidenepyridazine
SMILESCC(C)=C1C=CC=NN1C(C)(C)C
InChIInChI=1S/C11H18N2/c1-9(2)10-7-6-8-12-13(10)11(3,4)5/h6-8H,1-5H3
InChIKeyJFAYUQGIEHOXRU-UHFFFAOYSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-propan-2-ylidenepyridazine?
The IUPAC name of 1-tert-butyl-6-propan-2-ylidenepyridazine (CID 118336302) is 1-tert-butyl-6-propan-2-ylidenepyridazine.
What is the SMILES notation for 1-tert-butyl-6-propan-2-ylidenepyridazine?
The canonical SMILES for 1-tert-butyl-6-propan-2-ylidenepyridazine is CC(C)=C1C=CC=NN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-propan-2-ylidenepyridazine?
The InChIKey is JFAYUQGIEHOXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)10-7-6-8-12-13(10)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 1-tert-butyl-6-propan-2-ylidenepyridazine?
1-tert-butyl-6-propan-2-ylidenepyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-propan-2-ylidenepyridazine is sourced from PubChem (CID 118336302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).