4-tert-butylpyrido[2,3-c]pyridazine

C11H13N3 — CID 59647526

IUPAC4-tert-butylpyrido[2,3-c]pyridazine
SMILESCC(C)(C)c1cnnc2ncccc12
InChIInChI=1S/C11H13N3/c1-11(2,3)9-7-13-14-10-8(9)5-4-6-12-10/h4-7H,1-3H3
InChIKeyQJJXUBZYINMCPK-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.32
Rot. Bonds

About 4-tert-butylpyrido[2,3-c]pyridazine

4-tert-butylpyrido[2,3-c]pyridazine (PubChem CID 59647526) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-tert-butylpyrido[2,3-c]pyridazine.

Molecular Properties

Compound Name4-tert-butylpyrido[2,3-c]pyridazine
PubChem CID59647526
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-tert-butylpyrido[2,3-c]pyridazine
SMILESCC(C)(C)c1cnnc2ncccc12
InChIInChI=1S/C11H13N3/c1-11(2,3)9-7-13-14-10-8(9)5-4-6-12-10/h4-7H,1-3H3
InChIKeyQJJXUBZYINMCPK-UHFFFAOYSA-N
XLogP2.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-ditert-butylcinnoline
CID 176780982
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486
5,8-ditert-butylquinoline;ethane
CID 142102448
5-tert-butylbenzo[b][1,8]naphthyridine
CID 164810013
7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
CID 153286236
3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
CID 161040738
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-tert-butyl-1-propan-2-ylisoquinoline
CID 170136172
3,8,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9,11,13-heptaene
CID 70541796
N-(6-tert-butylpyren-1-yl)-N-(1,8-naphthyridin-4-yl)-1,8-naphthyridin-4-amine
CID 176881279
3-tert-butyl-2-(2,3,3-trimethylbutan-2-yl)pyridine
CID 122695001

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyrido[2,3-c]pyridazine?
The IUPAC name of 4-tert-butylpyrido[2,3-c]pyridazine (CID 59647526) is 4-tert-butylpyrido[2,3-c]pyridazine.
What is the SMILES notation for 4-tert-butylpyrido[2,3-c]pyridazine?
The canonical SMILES for 4-tert-butylpyrido[2,3-c]pyridazine is CC(C)(C)c1cnnc2ncccc12.
What is the InChIKey of 4-tert-butylpyrido[2,3-c]pyridazine?
The InChIKey is QJJXUBZYINMCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-11(2,3)9-7-13-14-10-8(9)5-4-6-12-10/h4-7H,1-3H3.
What are the key properties of 4-tert-butylpyrido[2,3-c]pyridazine?
4-tert-butylpyrido[2,3-c]pyridazine has a molecular weight of 187.25 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyrido[2,3-c]pyridazine is sourced from PubChem (CID 59647526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).