2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene

C10H14N2 — CID 162270585

IUPAC2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene
SMILESC1=CCC=C2NCCCNC2=C1
InChIInChI=1S/C10H14N2/c1-2-5-9-10(6-3-1)12-8-4-7-11-9/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeyFYXKPUPEZFHXPK-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.30
Rot. Bonds

About 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene

2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene (PubChem CID 162270585) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene.

Molecular Properties

Compound Name2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene
PubChem CID162270585
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene
SMILESC1=CCC=C2NCCCNC2=C1
InChIInChI=1S/C10H14N2/c1-2-5-9-10(6-3-1)12-8-4-7-11-9/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeyFYXKPUPEZFHXPK-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene with MolForge

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

Launch Full Analysis

Related Compounds

Tetrahydro 5h cycloheptapyrazine
CID 129802376
4-Fluoro-5-(4-methyl-1,4-diazepan-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 143483003
2,3,4,5,5a,6-hexahydro-1H-1,4-benzodiazepine
CID 69844043
2,6-Diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
CID 91034756
2,5-Diazabicyclo[5.5.0]dodeca-1(7),8,10-triene
CID 91429507
12-Methyl-1,4-diazabicyclo[5.5.0]dodeca-7,8,11-triene
CID 122605718
ethane;(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine
CID 143028399
Ethane;4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 143483002
N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine
CID 143615681
2,5-Diazabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 144192046
2-[4-(5-Chlorocyclohepta-1,3,6-trien-1-yl)-1,4-diazepan-1-yl]ethanamine
CID 144432552
(5Z)-5-(2-bromoprop-2-enylidene)-2-methylidene-1,4-diazepane
CID 146320979

Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene?
The IUPAC name of 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene (CID 162270585) is 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene.
What is the SMILES notation for 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene?
The canonical SMILES for 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene is C1=CCC=C2NCCCNC2=C1.
What is the InChIKey of 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene?
The InChIKey is FYXKPUPEZFHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-5-9-10(6-3-1)12-8-4-7-11-9/h1-2,5-6,11-12H,3-4,7-8H2.
What are the key properties of 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene?
2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene has a molecular weight of 162.24 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[5.5.0]dodeca-1(12),7,9-triene is sourced from PubChem (CID 162270585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).