1,7-diazacyclododeca-1,3,5,7,9,11-hexaene

C10H10N2 — CID 91264072

IUPAC1,7-diazacyclododeca-1,3,5,7,9,11-hexaene
SMILESC1=C/C=N\C=CC=C/C=N/C=C1
InChIInChI=1S/C10H10N2/c1-3-7-11-9-5-2-6-10-12-8-4-1/h1-10H/b3-1?,4-1?,5-2?,6-2?,7-3?,8-4?,9-5?,10-6?,11-7-,11-9?,12-8?,12-10+
InChIKeyQZINQUYHTOVRTR-QLCNOPRQSA-N
MW158.20 g/mol
LogP2.28
Rot. Bonds

About 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene

1,7-diazacyclododeca-1,3,5,7,9,11-hexaene (PubChem CID 91264072) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name1,7-diazacyclododeca-1,3,5,7,9,11-hexaene
PubChem CID91264072
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,7-diazacyclododeca-1,3,5,7,9,11-hexaene
SMILESC1=C/C=N\C=CC=C/C=N/C=C1
InChIInChI=1S/C10H10N2/c1-3-7-11-9-5-2-6-10-12-8-4-1/h1-10H/b3-1?,4-1?,5-2?,6-2?,7-3?,8-4?,9-5?,10-6?,11-7-,11-9?,12-8?,12-10+
InChIKeyQZINQUYHTOVRTR-QLCNOPRQSA-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

Analyze 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene (CID 91264072) is 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene is C1=C/C=N\C=CC=C/C=N/C=C1.
What is the InChIKey of 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene?
The InChIKey is QZINQUYHTOVRTR-QLCNOPRQSA-N. The full InChI is InChI=1S/C10H10N2/c1-3-7-11-9-5-2-6-10-12-8-4-1/h1-10H/b3-1?,4-1?,5-2?,6-2?,7-3?,8-4?,9-5?,10-6?,11-7-,11-9?,12-8?,12-10+.
What are the key properties of 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene?
1,7-diazacyclododeca-1,3,5,7,9,11-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 1,7-diazacyclododeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 91264072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).