2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene

C13H10N2 — CID 67872328

IUPAC2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene
SMILESC1=CCC2=CN3C4=CC=C(C4)C3=NC2=C1
InChIInChI=1S/C13H10N2/c1-2-4-12-10(3-1)8-15-11-6-5-9(7-11)13(15)14-12/h1-2,4-6,8H,3,7H2
InChIKeyVKMIANYBNVLIIW-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.66
Rot. Bonds

About 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene

2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene (PubChem CID 67872328) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene.

Molecular Properties

Compound Name2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene
PubChem CID67872328
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene
SMILESC1=CCC2=CN3C4=CC=C(C4)C3=NC2=C1
InChIInChI=1S/C13H10N2/c1-2-4-12-10(3-1)8-15-11-6-5-9(7-11)13(15)14-12/h1-2,4-6,8H,3,7H2
InChIKeyVKMIANYBNVLIIW-UHFFFAOYSA-N
XLogP2.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene?
The IUPAC name of 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene (CID 67872328) is 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene.
What is the SMILES notation for 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene?
The canonical SMILES for 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene is C1=CCC2=CN3C4=CC=C(C4)C3=NC2=C1.
What is the InChIKey of 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene?
The InChIKey is VKMIANYBNVLIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-4-12-10(3-1)8-15-11-6-5-9(7-11)13(15)14-12/h1-2,4-6,8H,3,7H2.
What are the key properties of 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene?
2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene has a molecular weight of 194.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene is sourced from PubChem (CID 67872328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).