1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine

C13H20N2 — CID 58531194

IUPAC1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C13H20N2/c1-8(2)12-10-6-5-7-11(10)13(9(3)4)15-14-12/h8-9H,5-7H2,1-4H3
InChIKeyWKLJBQWJIJNBHJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.21
Rot. Bonds2

About 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine

1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 58531194) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID58531194
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2c1CCC2
InChIInChI=1S/C13H20N2/c1-8(2)12-10-6-5-7-11(10)13(9(3)4)15-14-12/h8-9H,5-7H2,1-4H3
InChIKeyWKLJBQWJIJNBHJ-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 58531194) is 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine is CC(C)c1nnc(C(C)C)c2c1CCC2.
What is the InChIKey of 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is WKLJBQWJIJNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-8(2)12-10-6-5-7-11(10)13(9(3)4)15-14-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine?
1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 204.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 58531194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).