4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine

C9H12N2 — CID 91323824

IUPAC4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine
SMILESC1=CCC2CCN=NC2C=C1
InChIInChI=1S/C9H12N2/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-3,5,8-9H,4,6-7H2
InChIKeyUVNDWJYYZNNFQS-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.34
Rot. Bonds

About 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine

4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine (PubChem CID 91323824) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine.

Molecular Properties

Compound Name4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine
PubChem CID91323824
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine
SMILESC1=CCC2CCN=NC2C=C1
InChIInChI=1S/C9H12N2/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-3,5,8-9H,4,6-7H2
InChIKeyUVNDWJYYZNNFQS-UHFFFAOYSA-N
XLogP2.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91560605
(6-Ethenylcyclohexa-2,4-dien-1-yl)-methyldiazene
CID 130348656
5-methyl-4,9a-dihydro-3H-cyclohepta[c]pyridazine
CID 163574547
(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene
CID 175745910

Frequently Asked Questions

What is the IUPAC name of 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine?
The IUPAC name of 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine (CID 91323824) is 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine.
What is the SMILES notation for 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine?
The canonical SMILES for 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine is C1=CCC2CCN=NC2C=C1.
What is the InChIKey of 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine?
The InChIKey is UVNDWJYYZNNFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-3,5,8-9H,4,6-7H2.
What are the key properties of 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine?
4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine has a molecular weight of 148.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,9a-tetrahydro-3H-cyclohepta[c]pyridazine is sourced from PubChem (CID 91323824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).