2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one

C9H12N2O — CID 14363895

IUPAC2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCCCC2
InChIInChI=1S/C9H12N2O/c12-9-6-7-4-2-1-3-5-8(7)10-11-9/h6H,1-5H2,(H,11,12)
InChIKeyCTKCLFUQFOKBPS-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds

About 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one

2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one (PubChem CID 14363895) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one.

Molecular Properties

Compound Name2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one
PubChem CID14363895
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCCCC2
InChIInChI=1S/C9H12N2O/c12-9-6-7-4-2-1-3-5-8(7)10-11-9/h6H,1-5H2,(H,11,12)
InChIKeyCTKCLFUQFOKBPS-UHFFFAOYSA-N
XLogP1.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6,7,8-Hexahydrocinnolin-3-one
CID 230473
5,6,7,8-tetrahydro-2H-cinnolin-3-one hydrobromide
CID 6463100
5,6-Dimethylpyridazin-3-ol
CID 50987709
2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 5200288
5,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca[c]pyridazin-3(2H)-one
CID 20441610
1-Acetylcyclohexene acetylhydrazone
CID 129731130
5-Hydrazono-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 129873086
4-(Trifluoromethyl)-2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one
CID 43153243
5-Methyl-6-(3,3,3-trifluoropropyl)-2,3-dihydropyridazin-3-one
CID 131701596
5,6,7,8-tetrahydro-2H-cinnolin-3-one bromide
CID 49876978
6-Butylpyridazin-3(2H)-one
CID 10419368
8-methyl-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 14363894

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one?
The IUPAC name of 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one (CID 14363895) is 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one.
What is the SMILES notation for 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one?
The canonical SMILES for 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one is O=c1cc2c(n[nH]1)CCCCC2.
What is the InChIKey of 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one?
The InChIKey is CTKCLFUQFOKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-6-7-4-2-1-3-5-8(7)10-11-9/h6H,1-5H2,(H,11,12).
What are the key properties of 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one?
2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one has a molecular weight of 164.21 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8,9-hexahydrocyclohepta[c]pyridazin-3-one is sourced from PubChem (CID 14363895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).