3,7-ditert-butylimidazo[1,5-b]pyridazine

C14H21N3 — CID 171760813

IUPAC3,7-ditert-butylimidazo[1,5-b]pyridazine
SMILESCC(C)(C)c1cnn2c(C(C)(C)C)ncc2c1
InChIInChI=1S/C14H21N3/c1-13(2,3)10-7-11-9-15-12(14(4,5)6)17(11)16-8-10/h7-9H,1-6H3
InChIKeyFUIOAFRYSTWNAC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.32
Rot. Bonds

About 3,7-ditert-butylimidazo[1,5-b]pyridazine

3,7-ditert-butylimidazo[1,5-b]pyridazine (PubChem CID 171760813) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,7-ditert-butylimidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name3,7-ditert-butylimidazo[1,5-b]pyridazine
PubChem CID171760813
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3,7-ditert-butylimidazo[1,5-b]pyridazine
SMILESCC(C)(C)c1cnn2c(C(C)(C)C)ncc2c1
InChIInChI=1S/C14H21N3/c1-13(2,3)10-7-11-9-15-12(14(4,5)6)17(11)16-8-10/h7-9H,1-6H3
InChIKeyFUIOAFRYSTWNAC-UHFFFAOYSA-N
XLogP3.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylimidazo[1,5-a]pyridine
CID 5119094
3-tert-butylimidazo[1,5-a]pyrazine
CID 146339108
7-tert-butyl-2-methylimidazo[1,2-b]pyridazine
CID 172542303
3-tert-butyl-6-methylimidazo[1,5-a]pyridine
CID 117139745
6-tert-butylimidazo[1,5-a][1,3,5]triazine
CID 90328703
5-tert-butyltriazolo[1,5-a]pyridine
CID 58270238
methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142820
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
5-tert-butyl-3-chloropyridazine
CID 138722408
3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium
CID 59657279
3-(2-aminopropan-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 105444978
6-tert-butyl-3-methylimidazo[1,5-a]pyridine
CID 122429271

Frequently Asked Questions

What is the IUPAC name of 3,7-ditert-butylimidazo[1,5-b]pyridazine?
The IUPAC name of 3,7-ditert-butylimidazo[1,5-b]pyridazine (CID 171760813) is 3,7-ditert-butylimidazo[1,5-b]pyridazine.
What is the SMILES notation for 3,7-ditert-butylimidazo[1,5-b]pyridazine?
The canonical SMILES for 3,7-ditert-butylimidazo[1,5-b]pyridazine is CC(C)(C)c1cnn2c(C(C)(C)C)ncc2c1.
What is the InChIKey of 3,7-ditert-butylimidazo[1,5-b]pyridazine?
The InChIKey is FUIOAFRYSTWNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-13(2,3)10-7-11-9-15-12(14(4,5)6)17(11)16-8-10/h7-9H,1-6H3.
What are the key properties of 3,7-ditert-butylimidazo[1,5-b]pyridazine?
3,7-ditert-butylimidazo[1,5-b]pyridazine has a molecular weight of 231.34 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-ditert-butylimidazo[1,5-b]pyridazine is sourced from PubChem (CID 171760813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).