8H-cyclohepta[c]pyridazine;ethane

C11H14N2 — CID 143254013

IUPAC8H-cyclohepta[c]pyridazine;ethane
SMILESC1=CCC=c2nnccc2=C1.CC
InChIInChI=1S/C9H8N2.C2H6/c1-2-4-8-6-7-10-11-9(8)5-3-1;1-2/h1-2,4-7H,3H2;1-2H3
InChIKeyUUILWURUICEPFZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.02
Rot. Bonds

About 8H-cyclohepta[c]pyridazine;ethane

8H-cyclohepta[c]pyridazine;ethane (PubChem CID 143254013) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 8H-cyclohepta[c]pyridazine;ethane.

Molecular Properties

Compound Name8H-cyclohepta[c]pyridazine;ethane
PubChem CID143254013
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name8H-cyclohepta[c]pyridazine;ethane
SMILESC1=CCC=c2nnccc2=C1.CC
InChIInChI=1S/C9H8N2.C2H6/c1-2-4-8-6-7-10-11-9(8)5-3-1;1-2/h1-2,4-7H,3H2;1-2H3
InChIKeyUUILWURUICEPFZ-UHFFFAOYSA-N
XLogP1.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[c]pyridazine;ethane?
The IUPAC name of 8H-cyclohepta[c]pyridazine;ethane (CID 143254013) is 8H-cyclohepta[c]pyridazine;ethane.
What is the SMILES notation for 8H-cyclohepta[c]pyridazine;ethane?
The canonical SMILES for 8H-cyclohepta[c]pyridazine;ethane is C1=CCC=c2nnccc2=C1.CC.
What is the InChIKey of 8H-cyclohepta[c]pyridazine;ethane?
The InChIKey is UUILWURUICEPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6/c1-2-4-8-6-7-10-11-9(8)5-3-1;1-2/h1-2,4-7H,3H2;1-2H3.
What are the key properties of 8H-cyclohepta[c]pyridazine;ethane?
8H-cyclohepta[c]pyridazine;ethane has a molecular weight of 174.25 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[c]pyridazine;ethane is sourced from PubChem (CID 143254013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).