2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

C7H8N2O — CID 5200288

IUPAC2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCC2
InChIInChI=1S/C7H8N2O/c10-7-4-5-2-1-3-6(5)8-9-7/h4H,1-3H2,(H,9,10)
InChIKeyHZLVYABRXDPPSA-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.26
Rot. Bonds

About 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (PubChem CID 5200288) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
PubChem CID5200288
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCC2
InChIInChI=1S/C7H8N2O/c10-7-4-5-2-1-3-6(5)8-9-7/h4H,1-3H2,(H,9,10)
InChIKeyHZLVYABRXDPPSA-UHFFFAOYSA-N
XLogP0.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The IUPAC name of 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one (CID 5200288) is 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is O=c1cc2c(n[nH]1)CCC2.
What is the InChIKey of 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
The InChIKey is HZLVYABRXDPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-7-4-5-2-1-3-6(5)8-9-7/h4H,1-3H2,(H,9,10).
What are the key properties of 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one?
2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one has a molecular weight of 136.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 5200288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).