2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine

C7H12N2 — CID 170258912

IUPAC2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine
SMILESC1=CC2CCNNC2C1
InChIInChI=1S/C7H12N2/c1-2-6-4-5-8-9-7(6)3-1/h1-2,6-9H,3-5H2
InChIKeyCMEISRKONNGOPF-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.43
Rot. Bonds

About 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine

2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine (PubChem CID 170258912) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine
PubChem CID170258912
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine
SMILESC1=CC2CCNNC2C1
InChIInChI=1S/C7H12N2/c1-2-6-4-5-8-9-7(6)3-1/h1-2,6-9H,3-5H2
InChIKeyCMEISRKONNGOPF-UHFFFAOYSA-N
XLogP0.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine?
The IUPAC name of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine (CID 170258912) is 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine.
What is the SMILES notation for 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine?
The canonical SMILES for 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine is C1=CC2CCNNC2C1.
What is the InChIKey of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine?
The InChIKey is CMEISRKONNGOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-6-4-5-8-9-7(6)3-1/h1-2,6-9H,3-5H2.
What are the key properties of 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine?
2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine has a molecular weight of 124.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,7,7a-hexahydro-1H-cyclopenta[c]pyridazine is sourced from PubChem (CID 170258912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).