1-tert-butyl-6-methylidenepyridazine

C9H14N2 — CID 131997817

IUPAC1-tert-butyl-6-methylidenepyridazine
SMILESC=C1C=CC=NN1C(C)(C)C
InChIInChI=1S/C9H14N2/c1-8-6-5-7-10-11(8)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyQXBGITYSNLVJNJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds

About 1-tert-butyl-6-methylidenepyridazine

1-tert-butyl-6-methylidenepyridazine (PubChem CID 131997817) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-tert-butyl-6-methylidenepyridazine.

Molecular Properties

Compound Name1-tert-butyl-6-methylidenepyridazine
PubChem CID131997817
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-tert-butyl-6-methylidenepyridazine
SMILESC=C1C=CC=NN1C(C)(C)C
InChIInChI=1S/C9H14N2/c1-8-6-5-7-10-11(8)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyQXBGITYSNLVJNJ-UHFFFAOYSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
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-methylidenepyridazine?
The IUPAC name of 1-tert-butyl-6-methylidenepyridazine (CID 131997817) is 1-tert-butyl-6-methylidenepyridazine.
What is the SMILES notation for 1-tert-butyl-6-methylidenepyridazine?
The canonical SMILES for 1-tert-butyl-6-methylidenepyridazine is C=C1C=CC=NN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-methylidenepyridazine?
The InChIKey is QXBGITYSNLVJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-6-5-7-10-11(8)9(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 1-tert-butyl-6-methylidenepyridazine?
1-tert-butyl-6-methylidenepyridazine has a molecular weight of 150.22 g/mol, XLogP of 2.16, 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-methylidenepyridazine is sourced from PubChem (CID 131997817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).