4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine

C7H10N2 — CID 91343493

IUPAC4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine
SMILESC1=NN=C2CCCC2C1
InChIInChI=1S/C7H10N2/c1-2-6-4-5-8-9-7(6)3-1/h5-6H,1-4H2
InChIKeyPYEBBROWPJOEJX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.62
Rot. Bonds

About 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine

4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine (PubChem CID 91343493) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine
PubChem CID91343493
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine
SMILESC1=NN=C2CCCC2C1
InChIInChI=1S/C7H10N2/c1-2-6-4-5-8-9-7(6)3-1/h5-6H,1-4H2
InChIKeyPYEBBROWPJOEJX-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine?
The IUPAC name of 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine (CID 91343493) is 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine.
What is the SMILES notation for 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine?
The canonical SMILES for 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine is C1=NN=C2CCCC2C1.
What is the InChIKey of 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine?
The InChIKey is PYEBBROWPJOEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-6-4-5-8-9-7(6)3-1/h5-6H,1-4H2.
What are the key properties of 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine?
4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine has a molecular weight of 122.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7-tetrahydro-4H-cyclopenta[c]pyridazine is sourced from PubChem (CID 91343493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).