2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene

C12H12N2 — CID 143837617

IUPAC2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene
SMILESC1=CCC=c2c(nc3n2CCC=C3)=C1
InChIInChI=1S/C12H12N2/c1-2-6-10-11(7-3-1)14-9-5-4-8-12(14)13-10/h1-2,4,6-8H,3,5,9H2
InChIKeyZTTLPPIGLUXCRR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.82
Rot. Bonds

About 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene

2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene (PubChem CID 143837617) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene.

Molecular Properties

Compound Name2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene
PubChem CID143837617
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene
SMILESC1=CCC=c2c(nc3n2CCC=C3)=C1
InChIInChI=1S/C12H12N2/c1-2-6-10-11(7-3-1)14-9-5-4-8-12(14)13-10/h1-2,4,6-8H,3,5,9H2
InChIKeyZTTLPPIGLUXCRR-UHFFFAOYSA-N
XLogP0.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene?
The IUPAC name of 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene (CID 143837617) is 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene.
What is the SMILES notation for 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene?
The canonical SMILES for 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene is C1=CCC=c2c(nc3n2CCC=C3)=C1.
What is the InChIKey of 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene?
The InChIKey is ZTTLPPIGLUXCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-6-10-11(7-3-1)14-9-5-4-8-12(14)13-10/h1-2,4,6-8H,3,5,9H2.
What are the key properties of 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene?
2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene has a molecular weight of 184.24 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),5,7,9,11-pentaene is sourced from PubChem (CID 143837617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).