1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine

C7H10N2 — CID 67086727

IUPAC1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine
SMILESC1=CNN2CC=CC2C1
InChIInChI=1S/C7H10N2/c1-3-7-4-2-6-9(7)8-5-1/h1-2,4-5,7-8H,3,6H2
InChIKeyYSNAMTOGEIBWPG-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.65
Rot. Bonds

About 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine

1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine (PubChem CID 67086727) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine
PubChem CID67086727
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine
SMILESC1=CNN2CC=CC2C1
InChIInChI=1S/C7H10N2/c1-3-7-4-2-6-9(7)8-5-1/h1-2,4-5,7-8H,3,6H2
InChIKeyYSNAMTOGEIBWPG-UHFFFAOYSA-N
XLogP0.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
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 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine?
The IUPAC name of 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine (CID 67086727) is 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine?
The canonical SMILES for 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine is C1=CNN2CC=CC2C1.
What is the InChIKey of 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine?
The InChIKey is YSNAMTOGEIBWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-7-4-2-6-9(7)8-5-1/h1-2,4-5,7-8H,3,6H2.
What are the key properties of 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine?
1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine has a molecular weight of 122.17 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,7-tetrahydropyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 67086727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).