2,6-ditert-butylcyclopenta[c]pyridazine

C15H22N2 — CID 177123838

IUPAC2,6-ditert-butylcyclopenta[c]pyridazine
SMILESCC(C)(C)c1cc2ccn(C(C)(C)C)nc-2c1
InChIInChI=1S/C15H22N2/c1-14(2,3)12-9-11-7-8-17(15(4,5)6)16-13(11)10-12/h7-10H,1-6H3
InChIKeyLFRGDGVIZOHVGN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.04
Rot. Bonds

About 2,6-ditert-butylcyclopenta[c]pyridazine

2,6-ditert-butylcyclopenta[c]pyridazine (PubChem CID 177123838) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,6-ditert-butylcyclopenta[c]pyridazine.

Molecular Properties

Compound Name2,6-ditert-butylcyclopenta[c]pyridazine
PubChem CID177123838
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,6-ditert-butylcyclopenta[c]pyridazine
SMILESCC(C)(C)c1cc2ccn(C(C)(C)C)nc-2c1
InChIInChI=1S/C15H22N2/c1-14(2,3)12-9-11-7-8-17(15(4,5)6)16-13(11)10-12/h7-10H,1-6H3
InChIKeyLFRGDGVIZOHVGN-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174113162
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1-tert-butyl-3-ethenylpyrazole
CID 59860441
2-(1-tert-butylpyrazol-3-yl)quinoline
CID 134280816
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
1-tert-butyl-3-(6-methylcyclohexa-2,4-dien-1-yl)pyrazole
CID 139458971
[3-[1-[1,1-bis[3-[3-(sulfanylmethyl)phenyl]pyrazol-1-yl]ethyl]pyrazol-3-yl]phenyl]methanethiol
CID 102578592
N-(1-tert-butylpyrazol-3-yl)-6-phenylimidazo[1,2-b]pyridazin-8-amine
CID 71525436
3-(1-tert-butyltriazol-4-yl)aniline
CID 165458885
3-(3-methoxyphenyl)-1-tritylpyrazole
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1-tert-butyl-3-(2-cyclopropylethyl)pyrazole
CID 176799964

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylcyclopenta[c]pyridazine?
The IUPAC name of 2,6-ditert-butylcyclopenta[c]pyridazine (CID 177123838) is 2,6-ditert-butylcyclopenta[c]pyridazine.
What is the SMILES notation for 2,6-ditert-butylcyclopenta[c]pyridazine?
The canonical SMILES for 2,6-ditert-butylcyclopenta[c]pyridazine is CC(C)(C)c1cc2ccn(C(C)(C)C)nc-2c1.
What is the InChIKey of 2,6-ditert-butylcyclopenta[c]pyridazine?
The InChIKey is LFRGDGVIZOHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)12-9-11-7-8-17(15(4,5)6)16-13(11)10-12/h7-10H,1-6H3.
What are the key properties of 2,6-ditert-butylcyclopenta[c]pyridazine?
2,6-ditert-butylcyclopenta[c]pyridazine has a molecular weight of 230.35 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylcyclopenta[c]pyridazine is sourced from PubChem (CID 177123838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).