(5Z,7Z)-1,4-diazocine

C6H6N2 — CID 19434758

IUPAC(5Z,7Z)-1,4-diazocine
SMILESC1=C\N=C/C=N\C=C/1
InChIInChI=1S/C6H6N2/c1-2-4-8-6-5-7-3-1/h1-6H/b2-1-,3-1-,4-2-,6-5-,7-3-,7-5-,8-4-,8-6-
InChIKeySBTYJUZFGGEWNU-CKTCMQBTSA-N
MW106.13 g/mol
LogP1.17
Rot. Bonds

About (5Z,7Z)-1,4-diazocine

(5Z,7Z)-1,4-diazocine (PubChem CID 19434758) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is (5Z,7Z)-1,4-diazocine.

Molecular Properties

Compound Name(5Z,7Z)-1,4-diazocine
PubChem CID19434758
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name(5Z,7Z)-1,4-diazocine
SMILESC1=C\N=C/C=N\C=C/1
InChIInChI=1S/C6H6N2/c1-2-4-8-6-5-7-3-1/h1-6H/b2-1-,3-1-,4-2-,6-5-,7-3-,7-5-,8-4-,8-6-
InChIKeySBTYJUZFGGEWNU-CKTCMQBTSA-N
XLogP1.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-1,4-diazocine?
The IUPAC name of (5Z,7Z)-1,4-diazocine (CID 19434758) is (5Z,7Z)-1,4-diazocine.
What is the SMILES notation for (5Z,7Z)-1,4-diazocine?
The canonical SMILES for (5Z,7Z)-1,4-diazocine is C1=C\N=C/C=N\C=C/1.
What is the InChIKey of (5Z,7Z)-1,4-diazocine?
The InChIKey is SBTYJUZFGGEWNU-CKTCMQBTSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-4-8-6-5-7-3-1/h1-6H/b2-1-,3-1-,4-2-,6-5-,7-3-,7-5-,8-4-,8-6-.
What are the key properties of (5Z,7Z)-1,4-diazocine?
(5Z,7Z)-1,4-diazocine has a molecular weight of 106.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-1,4-diazocine is sourced from PubChem (CID 19434758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).