4aH-cyclohepta[d]pyridazine

C9H8N2 — CID 142992545

IUPAC4aH-cyclohepta[d]pyridazine
SMILESC1=CC=C2C=NN=CC2C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-8H
InChIKeyNWEYHSJGTCTGNP-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.73
Rot. Bonds

About 4aH-cyclohepta[d]pyridazine

4aH-cyclohepta[d]pyridazine (PubChem CID 142992545) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4aH-cyclohepta[d]pyridazine.

Molecular Properties

Compound Name4aH-cyclohepta[d]pyridazine
PubChem CID142992545
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4aH-cyclohepta[d]pyridazine
SMILESC1=CC=C2C=NN=CC2C=C1
InChIInChI=1S/C9H8N2/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-8H
InChIKeyNWEYHSJGTCTGNP-UHFFFAOYSA-N
XLogP1.73
TPSA24.72 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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4aH-cyclohepta[d]pyridazine?
The IUPAC name of 4aH-cyclohepta[d]pyridazine (CID 142992545) is 4aH-cyclohepta[d]pyridazine.
What is the SMILES notation for 4aH-cyclohepta[d]pyridazine?
The canonical SMILES for 4aH-cyclohepta[d]pyridazine is C1=CC=C2C=NN=CC2C=C1.
What is the InChIKey of 4aH-cyclohepta[d]pyridazine?
The InChIKey is NWEYHSJGTCTGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8-6-10-11-7-9(8)5-3-1/h1-8H.
What are the key properties of 4aH-cyclohepta[d]pyridazine?
4aH-cyclohepta[d]pyridazine has a molecular weight of 144.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-cyclohepta[d]pyridazine is sourced from PubChem (CID 142992545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).