2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine

C8H14N2 — CID 59030492

IUPAC2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine
SMILESC=C1CN2CCCCN2C1
InChIInChI=1S/C8H14N2/c1-8-6-9-4-2-3-5-10(9)7-8/h1-7H2
InChIKeyMTDGAOQQJRTWRH-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.87
Rot. Bonds

About 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine

2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine (PubChem CID 59030492) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine.

Molecular Properties

Compound Name2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine
PubChem CID59030492
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine
SMILESC=C1CN2CCCCN2C1
InChIInChI=1S/C8H14N2/c1-8-6-9-4-2-3-5-10(9)7-8/h1-7H2
InChIKeyMTDGAOQQJRTWRH-UHFFFAOYSA-N
XLogP0.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine?
The IUPAC name of 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine (CID 59030492) is 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine.
What is the SMILES notation for 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine?
The canonical SMILES for 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine is C=C1CN2CCCCN2C1.
What is the InChIKey of 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine?
The InChIKey is MTDGAOQQJRTWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8-6-9-4-2-3-5-10(9)7-8/h1-7H2.
What are the key properties of 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine?
2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine has a molecular weight of 138.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3,5,6,7,8-hexahydropyrazolo[1,2-a]pyridazine is sourced from PubChem (CID 59030492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).