(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene

C6H4N2 — CID 131966618

IUPAC(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene
SMILESC1=C/C=C\N=C=CN=1
InChIInChI=1S/C6H4N2/c1-2-4-8-6-5-7-3-1/h1-3,6H/b3-1-
InChIKeyXTQCFQBRUAYLRX-IWQZZHSRSA-N
MW104.11 g/mol
LogP0.92
Rot. Bonds

About (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene

(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene (PubChem CID 131966618) has the molecular formula C6H4N2 and a molecular weight of 104.11 g/mol. Its IUPAC name is (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene.

Molecular Properties

Compound Name(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene
PubChem CID131966618
Molecular FormulaC6H4N2
Molecular Weight104.11 g/mol
Exact Mass104.04
IUPAC Name(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene
SMILESC1=C/C=C\N=C=CN=1
InChIInChI=1S/C6H4N2/c1-2-4-8-6-5-7-3-1/h1-3,6H/b3-1-
InChIKeyXTQCFQBRUAYLRX-IWQZZHSRSA-N
XLogP0.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene?
The IUPAC name of (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene (CID 131966618) is (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene.
What is the SMILES notation for (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene?
The canonical SMILES for (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene is C1=C/C=C\N=C=CN=1.
What is the InChIKey of (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene?
The InChIKey is XTQCFQBRUAYLRX-IWQZZHSRSA-N. The full InChI is InChI=1S/C6H4N2/c1-2-4-8-6-5-7-3-1/h1-3,6H/b3-1-.
What are the key properties of (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene?
(5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene has a molecular weight of 104.11 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,4-diazacycloocta-2,3,5,7,8-pentaene is sourced from PubChem (CID 131966618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).