2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene

C12H10N2 — CID 87079909

IUPAC2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene
SMILESC1=CC=C2C(=CN3C=CC=CN23)C=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10-13-8-4-5-9-14(13)12(11)7-3-1/h1-10H
InChIKeyMYVRDCJQULCFSB-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.45
Rot. Bonds

About 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene

2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene (PubChem CID 87079909) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene.

Molecular Properties

Compound Name2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene
PubChem CID87079909
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene
SMILESC1=CC=C2C(=CN3C=CC=CN23)C=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10-13-8-4-5-9-14(13)12(11)7-3-1/h1-10H
InChIKeyMYVRDCJQULCFSB-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene?
The IUPAC name of 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene (CID 87079909) is 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene.
What is the SMILES notation for 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene?
The canonical SMILES for 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene is C1=CC=C2C(=CN3C=CC=CN23)C=C1.
What is the InChIKey of 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene?
The InChIKey is MYVRDCJQULCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-11-10-13-8-4-5-9-14(13)12(11)7-3-1/h1-10H.
What are the key properties of 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene?
2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene has a molecular weight of 182.23 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,8,10,12-hexaene is sourced from PubChem (CID 87079909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).