azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine

C12H14N2 — CID 174711718

IUPACazane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine
SMILESN.c1cc2cc(c1)C2.c1ccncc1
InChIInChI=1S/C7H6.C5H5N.H3N/c1-2-6-4-7(3-1)5-6;1-2-4-6-5-3-1;/h1-4H,5H2;1-5H;1H3
InChIKeyLGTFDGRQZICXLF-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.83
Rot. Bonds

About azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine

azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine (PubChem CID 174711718) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine.

Molecular Properties

Compound Nameazane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine
PubChem CID174711718
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Nameazane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine
SMILESN.c1cc2cc(c1)C2.c1ccncc1
InChIInChI=1S/C7H6.C5H5N.H3N/c1-2-6-4-7(3-1)5-6;1-2-4-6-5-3-1;/h1-4H,5H2;1-5H;1H3
InChIKeyLGTFDGRQZICXLF-UHFFFAOYSA-N
XLogP2.83
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine?
The IUPAC name of azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine (CID 174711718) is azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine.
What is the SMILES notation for azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine?
The canonical SMILES for azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine is N.c1cc2cc(c1)C2.c1ccncc1.
What is the InChIKey of azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine?
The InChIKey is LGTFDGRQZICXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.C5H5N.H3N/c1-2-6-4-7(3-1)5-6;1-2-4-6-5-3-1;/h1-4H,5H2;1-5H;1H3.
What are the key properties of azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine?
azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine has a molecular weight of 186.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bicyclo[3.1.1]hepta-1(6),2,4-triene;pyridine is sourced from PubChem (CID 174711718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).