2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene

C12H10N2 — CID 141147806

IUPAC2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene
SMILESC1=CC=c2c(cc3n2CC=NC=3)C=C1
InChIInChI=1S/C12H10N2/c1-2-4-10-8-11-9-13-6-7-14(11)12(10)5-3-1/h1-6,8-9H,7H2
InChIKeyWUPPKWWLAYGZKE-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.67
Rot. Bonds

About 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene

2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene (PubChem CID 141147806) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene.

Molecular Properties

Compound Name2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene
PubChem CID141147806
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene
SMILESC1=CC=c2c(cc3n2CC=NC=3)C=C1
InChIInChI=1S/C12H10N2/c1-2-4-10-8-11-9-13-6-7-14(11)12(10)5-3-1/h1-6,8-9H,7H2
InChIKeyWUPPKWWLAYGZKE-UHFFFAOYSA-N
XLogP0.67
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene?
The IUPAC name of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene (CID 141147806) is 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene.
What is the SMILES notation for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene?
The canonical SMILES for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene is C1=CC=c2c(cc3n2CC=NC=3)C=C1.
What is the InChIKey of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene?
The InChIKey is WUPPKWWLAYGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-4-10-8-11-9-13-6-7-14(11)12(10)5-3-1/h1-6,8-9H,7H2.
What are the key properties of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene?
2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene has a molecular weight of 182.23 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),4,6,8,10,12-hexaene is sourced from PubChem (CID 141147806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).