3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine

C12H20N2 — CID 59802697

IUPAC3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine
SMILESC=C1C=CC(C(C)(C)C)=NN1C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)14-10(3)7-8-11(13-14)12(4,5)6/h7-9H,3H2,1-2,4-6H3
InChIKeyHDLGDHIAZLWNRG-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.18
Rot. Bonds1

About 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine

3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine (PubChem CID 59802697) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine
PubChem CID59802697
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine
SMILESC=C1C=CC(C(C)(C)C)=NN1C(C)C
InChIInChI=1S/C12H20N2/c1-9(2)14-10(3)7-8-11(13-14)12(4,5)6/h7-9H,3H2,1-2,4-6H3
InChIKeyHDLGDHIAZLWNRG-UHFFFAOYSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-ditert-butyl-6-methyl-3H-pyridazine
CID 23540004
1-Methyl-6-methylidene-3-propan-2-ylpyridazine
CID 58334537
3-Tert-butyl-1-methyl-6-methylidenepyridazine
CID 58386253
5-methylidene-N-propan-2-yl-N-(propan-2-ylideneamino)hepta-1,3,6-trien-2-amine
CID 123831923
1-Methyl-6-methylidene-3-prop-1-en-2-ylpyridazine
CID 143480957
Ethane;7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene
CID 144954958
(6Z)-1-methyl-3-propan-2-yl-6-propylidenepyridazine
CID 170206730
2,5-Ditert-butyl-1,2-benzodiazepine
CID 172813665
(3Z)-N-(6-methyl-2H-pyridin-1-yl)hexa-3,5-dien-2-imine
CID 173499145
6-methylidene-1-[(Z)-pent-1-enyl]-3-propan-2-ylpyridazine
CID 174246566
2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine
CID 177267270
2-Cyclohexa-1,5-dien-1-yl-3,4-dimethyl-3,4-dihydropyrazole
CID 164085078

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine?
The IUPAC name of 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine (CID 59802697) is 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine.
What is the SMILES notation for 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine?
The canonical SMILES for 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine is C=C1C=CC(C(C)(C)C)=NN1C(C)C.
What is the InChIKey of 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine?
The InChIKey is HDLGDHIAZLWNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)14-10(3)7-8-11(13-14)12(4,5)6/h7-9H,3H2,1-2,4-6H3.
What are the key properties of 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine?
3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine has a molecular weight of 192.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methylidene-1-propan-2-ylpyridazine is sourced from PubChem (CID 59802697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).