7H-cyclohepta[c]pyridazine;ethane

C13H20N2 — CID 143617760

IUPAC7H-cyclohepta[c]pyridazine;ethane
SMILESC1=Cc2ccnnc2C=CC1.CC.CC
InChIInChI=1S/C9H8N2.2C2H6/c1-2-4-8-6-7-10-11-9(8)5-3-1;2*1-2/h2-7H,1H2;2*1-2H3
InChIKeyIXCCLCMDLINSDN-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.96
Rot. Bonds

About 7H-cyclohepta[c]pyridazine;ethane

7H-cyclohepta[c]pyridazine;ethane (PubChem CID 143617760) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 7H-cyclohepta[c]pyridazine;ethane.

Molecular Properties

Compound Name7H-cyclohepta[c]pyridazine;ethane
PubChem CID143617760
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name7H-cyclohepta[c]pyridazine;ethane
SMILESC1=Cc2ccnnc2C=CC1.CC.CC
InChIInChI=1S/C9H8N2.2C2H6/c1-2-4-8-6-7-10-11-9(8)5-3-1;2*1-2/h2-7H,1H2;2*1-2H3
InChIKeyIXCCLCMDLINSDN-UHFFFAOYSA-N
XLogP3.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-cyclohepta[c]pyridazine;ethane?
The IUPAC name of 7H-cyclohepta[c]pyridazine;ethane (CID 143617760) is 7H-cyclohepta[c]pyridazine;ethane.
What is the SMILES notation for 7H-cyclohepta[c]pyridazine;ethane?
The canonical SMILES for 7H-cyclohepta[c]pyridazine;ethane is C1=Cc2ccnnc2C=CC1.CC.CC.
What is the InChIKey of 7H-cyclohepta[c]pyridazine;ethane?
The InChIKey is IXCCLCMDLINSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2C2H6/c1-2-4-8-6-7-10-11-9(8)5-3-1;2*1-2/h2-7H,1H2;2*1-2H3.
What are the key properties of 7H-cyclohepta[c]pyridazine;ethane?
7H-cyclohepta[c]pyridazine;ethane has a molecular weight of 204.32 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclohepta[c]pyridazine;ethane is sourced from PubChem (CID 143617760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).