1,2-diazacyclododeca-2,4,6,8,10,12-hexaene

C10H10N2 — CID 90901790

IUPAC1,2-diazacyclododeca-2,4,6,8,10,12-hexaene
SMILESC1=CC=CC=NN=CC=CC=C1
InChIInChI=1S/C10H10N2/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-10H
InChIKeyIXXGVJVJCRRRFK-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.28
Rot. Bonds

About 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene

1,2-diazacyclododeca-2,4,6,8,10,12-hexaene (PubChem CID 90901790) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene.

Molecular Properties

Compound Name1,2-diazacyclododeca-2,4,6,8,10,12-hexaene
PubChem CID90901790
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,2-diazacyclododeca-2,4,6,8,10,12-hexaene
SMILESC1=CC=CC=NN=CC=CC=C1
InChIInChI=1S/C10H10N2/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-10H
InChIKeyIXXGVJVJCRRRFK-UHFFFAOYSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene?
The IUPAC name of 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene (CID 90901790) is 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene.
What is the SMILES notation for 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene?
The canonical SMILES for 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene is C1=CC=CC=NN=CC=CC=C1.
What is the InChIKey of 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene?
The InChIKey is IXXGVJVJCRRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-10H.
What are the key properties of 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene?
1,2-diazacyclododeca-2,4,6,8,10,12-hexaene has a molecular weight of 158.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazacyclododeca-2,4,6,8,10,12-hexaene is sourced from PubChem (CID 90901790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).