8H-cyclohepta[d]pyridazine

C9H8N2 — CID 91163793

IUPAC8H-cyclohepta[d]pyridazine
SMILESC1=CCC=c2cnncc2=C1
InChIInChI=1S/C9H8N2/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-2,4-7H,3H2
InChIKeyTXQDEJYXQNRSBO-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.00
Rot. Bonds

About 8H-cyclohepta[d]pyridazine

8H-cyclohepta[d]pyridazine (PubChem CID 91163793) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 8H-cyclohepta[d]pyridazine.

Molecular Properties

Compound Name8H-cyclohepta[d]pyridazine
PubChem CID91163793
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name8H-cyclohepta[d]pyridazine
SMILESC1=CCC=c2cnncc2=C1
InChIInChI=1S/C9H8N2/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-2,4-7H,3H2
InChIKeyTXQDEJYXQNRSBO-UHFFFAOYSA-N
XLogP-0.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[d]pyridazine?
The IUPAC name of 8H-cyclohepta[d]pyridazine (CID 91163793) is 8H-cyclohepta[d]pyridazine.
What is the SMILES notation for 8H-cyclohepta[d]pyridazine?
The canonical SMILES for 8H-cyclohepta[d]pyridazine is C1=CCC=c2cnncc2=C1.
What is the InChIKey of 8H-cyclohepta[d]pyridazine?
The InChIKey is TXQDEJYXQNRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-2,4-7H,3H2.
What are the key properties of 8H-cyclohepta[d]pyridazine?
8H-cyclohepta[d]pyridazine has a molecular weight of 144.18 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[d]pyridazine is sourced from PubChem (CID 91163793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).