1H-cyclohepta[c]pyridazine

C9H8N2 — CID 87494174

IUPAC1H-cyclohepta[c]pyridazine
SMILESC1=CC=C2NN=CC=C2C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-7,11H
InChIKeyJLVWPQILIITKON-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.51
Rot. Bonds

About 1H-cyclohepta[c]pyridazine

1H-cyclohepta[c]pyridazine (PubChem CID 87494174) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1H-cyclohepta[c]pyridazine.

Molecular Properties

Compound Name1H-cyclohepta[c]pyridazine
PubChem CID87494174
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1H-cyclohepta[c]pyridazine
SMILESC1=CC=C2NN=CC=C2C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-7,11H
InChIKeyJLVWPQILIITKON-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclohepta[c]pyridazine?
The IUPAC name of 1H-cyclohepta[c]pyridazine (CID 87494174) is 1H-cyclohepta[c]pyridazine.
What is the SMILES notation for 1H-cyclohepta[c]pyridazine?
The canonical SMILES for 1H-cyclohepta[c]pyridazine is C1=CC=C2NN=CC=C2C=C1.
What is the InChIKey of 1H-cyclohepta[c]pyridazine?
The InChIKey is JLVWPQILIITKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-7,11H.
What are the key properties of 1H-cyclohepta[c]pyridazine?
1H-cyclohepta[c]pyridazine has a molecular weight of 144.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclohepta[c]pyridazine is sourced from PubChem (CID 87494174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).