3-tert-butyl-6H-cyclopenta[c]pyridazine

C11H14N2 — CID 163872646

IUPAC3-tert-butyl-6H-cyclopenta[c]pyridazine
SMILESCC(C)(C)c1cc2c(nn1)=CCC=2
InChIInChI=1S/C11H14N2/c1-11(2,3)10-7-8-5-4-6-9(8)12-13-10/h5-7H,4H2,1-3H3
InChIKeyVIPFQTLIKBSADG-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.74
Rot. Bonds

About 3-tert-butyl-6H-cyclopenta[c]pyridazine

3-tert-butyl-6H-cyclopenta[c]pyridazine (PubChem CID 163872646) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-tert-butyl-6H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6H-cyclopenta[c]pyridazine
PubChem CID163872646
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-tert-butyl-6H-cyclopenta[c]pyridazine
SMILESCC(C)(C)c1cc2c(nn1)=CCC=2
InChIInChI=1S/C11H14N2/c1-11(2,3)10-7-8-5-4-6-9(8)12-13-10/h5-7H,4H2,1-3H3
InChIKeyVIPFQTLIKBSADG-UHFFFAOYSA-N
XLogP0.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6H-cyclopenta[c]pyridazine?
The IUPAC name of 3-tert-butyl-6H-cyclopenta[c]pyridazine (CID 163872646) is 3-tert-butyl-6H-cyclopenta[c]pyridazine.
What is the SMILES notation for 3-tert-butyl-6H-cyclopenta[c]pyridazine?
The canonical SMILES for 3-tert-butyl-6H-cyclopenta[c]pyridazine is CC(C)(C)c1cc2c(nn1)=CCC=2.
What is the InChIKey of 3-tert-butyl-6H-cyclopenta[c]pyridazine?
The InChIKey is VIPFQTLIKBSADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)10-7-8-5-4-6-9(8)12-13-10/h5-7H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-6H-cyclopenta[c]pyridazine?
3-tert-butyl-6H-cyclopenta[c]pyridazine has a molecular weight of 174.25 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6H-cyclopenta[c]pyridazine is sourced from PubChem (CID 163872646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).