5,6-dihydro-4aH-cyclopenta[c]pyridazine

C7H8N2 — CID 123339314

IUPAC5,6-dihydro-4aH-cyclopenta[c]pyridazine
SMILESC1=CC2CCC=C2N=N1
InChIInChI=1S/C7H8N2/c1-2-6-4-5-8-9-7(6)3-1/h3-6H,1-2H2
InChIKeyRKTNPLINAVBLGE-UHFFFAOYSA-N
MW120.15 g/mol
LogP2.26
Rot. Bonds

About 5,6-dihydro-4aH-cyclopenta[c]pyridazine

5,6-dihydro-4aH-cyclopenta[c]pyridazine (PubChem CID 123339314) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5,6-dihydro-4aH-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name5,6-dihydro-4aH-cyclopenta[c]pyridazine
PubChem CID123339314
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5,6-dihydro-4aH-cyclopenta[c]pyridazine
SMILESC1=CC2CCC=C2N=N1
InChIInChI=1S/C7H8N2/c1-2-6-4-5-8-9-7(6)3-1/h3-6H,1-2H2
InChIKeyRKTNPLINAVBLGE-UHFFFAOYSA-N
XLogP2.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4aH-cyclopenta[c]pyridazine?
The IUPAC name of 5,6-dihydro-4aH-cyclopenta[c]pyridazine (CID 123339314) is 5,6-dihydro-4aH-cyclopenta[c]pyridazine.
What is the SMILES notation for 5,6-dihydro-4aH-cyclopenta[c]pyridazine?
The canonical SMILES for 5,6-dihydro-4aH-cyclopenta[c]pyridazine is C1=CC2CCC=C2N=N1.
What is the InChIKey of 5,6-dihydro-4aH-cyclopenta[c]pyridazine?
The InChIKey is RKTNPLINAVBLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-4-5-8-9-7(6)3-1/h3-6H,1-2H2.
What are the key properties of 5,6-dihydro-4aH-cyclopenta[c]pyridazine?
5,6-dihydro-4aH-cyclopenta[c]pyridazine has a molecular weight of 120.15 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4aH-cyclopenta[c]pyridazine is sourced from PubChem (CID 123339314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).