3,7-dihydrocyclopenta[c]pyridazin-3-ide

C7H5N2- — CID 154427623

IUPAC3,7-dihydrocyclopenta[c]pyridazin-3-ide
SMILES[c-]1cc2c(nn1)CC=C2
InChIInChI=1S/C7H5N2/c1-2-6-4-5-8-9-7(6)3-1/h1-2,4H,3H2/q-1
InChIKeyNMKZJIWNXWTSKT-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.85
Rot. Bonds

About 3,7-dihydrocyclopenta[c]pyridazin-3-ide

3,7-dihydrocyclopenta[c]pyridazin-3-ide (PubChem CID 154427623) has the molecular formula C7H5N2- and a molecular weight of 117.13 g/mol. Its IUPAC name is 3,7-dihydrocyclopenta[c]pyridazin-3-ide.

Molecular Properties

Compound Name3,7-dihydrocyclopenta[c]pyridazin-3-ide
PubChem CID154427623
Molecular FormulaC7H5N2-
Molecular Weight117.13 g/mol
Exact Mass117.05
IUPAC Name3,7-dihydrocyclopenta[c]pyridazin-3-ide
SMILES[c-]1cc2c(nn1)CC=C2
InChIInChI=1S/C7H5N2/c1-2-6-4-5-8-9-7(6)3-1/h1-2,4H,3H2/q-1
InChIKeyNMKZJIWNXWTSKT-UHFFFAOYSA-N
XLogP0.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4H-indazole
CID 23109654
Cyclopenta-1,3-diene-1-diazonium
CID 20700900
1-Azidocyclopenta-1,3-diene
CID 101547030
2-Azidocyclopenta-1,3-diene
CID 134847862
6H-indazole
CID 23109657
6H-cyclopenta[c]pyridazine
CID 90328568
5-Methylidenebenzotriazole
CID 139791384
7,8-Diazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
CID 141050593
6H-indazol-3-amine
CID 149714587
3-tert-butyl-6H-cyclopenta[c]pyridazine
CID 163872646
3-methyl-6H-indazole
CID 174665894
hydron;4H-indazole
CID 174728816

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydrocyclopenta[c]pyridazin-3-ide?
The IUPAC name of 3,7-dihydrocyclopenta[c]pyridazin-3-ide (CID 154427623) is 3,7-dihydrocyclopenta[c]pyridazin-3-ide.
What is the SMILES notation for 3,7-dihydrocyclopenta[c]pyridazin-3-ide?
The canonical SMILES for 3,7-dihydrocyclopenta[c]pyridazin-3-ide is [c-]1cc2c(nn1)CC=C2.
What is the InChIKey of 3,7-dihydrocyclopenta[c]pyridazin-3-ide?
The InChIKey is NMKZJIWNXWTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2/c1-2-6-4-5-8-9-7(6)3-1/h1-2,4H,3H2/q-1.
What are the key properties of 3,7-dihydrocyclopenta[c]pyridazin-3-ide?
3,7-dihydrocyclopenta[c]pyridazin-3-ide has a molecular weight of 117.13 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydrocyclopenta[c]pyridazin-3-ide is sourced from PubChem (CID 154427623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).