6H-cyclopenta[c]pyridazine

C7H6N2 — CID 90328568

IUPAC6H-cyclopenta[c]pyridazine
SMILESC1=c2ccnnc2=CC1
InChIInChI=1S/C7H6N2/c1-2-6-4-5-8-9-7(6)3-1/h2-5H,1H2
InChIKeyCPEGSPNWHXMNDS-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.56
Rot. Bonds

About 6H-cyclopenta[c]pyridazine

6H-cyclopenta[c]pyridazine (PubChem CID 90328568) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 6H-cyclopenta[c]pyridazine.

Molecular Properties

Compound Name6H-cyclopenta[c]pyridazine
PubChem CID90328568
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name6H-cyclopenta[c]pyridazine
SMILESC1=c2ccnnc2=CC1
InChIInChI=1S/C7H6N2/c1-2-6-4-5-8-9-7(6)3-1/h2-5H,1H2
InChIKeyCPEGSPNWHXMNDS-UHFFFAOYSA-N
XLogP-0.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-cyclopenta[c]pyridazine?
The IUPAC name of 6H-cyclopenta[c]pyridazine (CID 90328568) is 6H-cyclopenta[c]pyridazine.
What is the SMILES notation for 6H-cyclopenta[c]pyridazine?
The canonical SMILES for 6H-cyclopenta[c]pyridazine is C1=c2ccnnc2=CC1.
What is the InChIKey of 6H-cyclopenta[c]pyridazine?
The InChIKey is CPEGSPNWHXMNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-6-4-5-8-9-7(6)3-1/h2-5H,1H2.
What are the key properties of 6H-cyclopenta[c]pyridazine?
6H-cyclopenta[c]pyridazine has a molecular weight of 118.14 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-cyclopenta[c]pyridazine is sourced from PubChem (CID 90328568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).