1-tert-butyl-3-methyl-6-methylidenepyridazine

C10H16N2 — CID 58337017

IUPAC1-tert-butyl-3-methyl-6-methylidenepyridazine
SMILESC=C1C=CC(C)=NN1C(C)(C)C
InChIInChI=1S/C10H16N2/c1-8-6-7-9(2)12(11-8)10(3,4)5/h6-7H,2H2,1,3-5H3
InChIKeyFJKXMIXNWVQGAU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds

About 1-tert-butyl-3-methyl-6-methylidenepyridazine

1-tert-butyl-3-methyl-6-methylidenepyridazine (PubChem CID 58337017) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-6-methylidenepyridazine.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-6-methylidenepyridazine
PubChem CID58337017
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-tert-butyl-3-methyl-6-methylidenepyridazine
SMILESC=C1C=CC(C)=NN1C(C)(C)C
InChIInChI=1S/C10H16N2/c1-8-6-7-9(2)12(11-8)10(3,4)5/h6-7H,2H2,1,3-5H3
InChIKeyFJKXMIXNWVQGAU-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-6-methylidenepyridazine?
The IUPAC name of 1-tert-butyl-3-methyl-6-methylidenepyridazine (CID 58337017) is 1-tert-butyl-3-methyl-6-methylidenepyridazine.
What is the SMILES notation for 1-tert-butyl-3-methyl-6-methylidenepyridazine?
The canonical SMILES for 1-tert-butyl-3-methyl-6-methylidenepyridazine is C=C1C=CC(C)=NN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-methyl-6-methylidenepyridazine?
The InChIKey is FJKXMIXNWVQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-7-9(2)12(11-8)10(3,4)5/h6-7H,2H2,1,3-5H3.
What are the key properties of 1-tert-butyl-3-methyl-6-methylidenepyridazine?
1-tert-butyl-3-methyl-6-methylidenepyridazine has a molecular weight of 164.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-6-methylidenepyridazine is sourced from PubChem (CID 58337017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).