2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene

C13H10N2 — CID 152731271

IUPAC2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=CN=C2C=CC=CC23N=CC=CC3=C1
InChIInChI=1S/C13H10N2/c1-2-8-13-11(6-4-10-15-13)5-3-9-14-12(13)7-1/h1-10H
InChIKeyZXRFLXGXJCPWQM-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.39
Rot. Bonds

About 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene

2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene (PubChem CID 152731271) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
PubChem CID152731271
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene
SMILESC1=CN=C2C=CC=CC23N=CC=CC3=C1
InChIInChI=1S/C13H10N2/c1-2-8-13-11(6-4-10-15-13)5-3-9-14-12(13)7-1/h1-10H
InChIKeyZXRFLXGXJCPWQM-UHFFFAOYSA-N
XLogP2.39
TPSA24.72 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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The IUPAC name of 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene (CID 152731271) is 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene.
What is the SMILES notation for 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The canonical SMILES for 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene is C1=CN=C2C=CC=CC23N=CC=CC3=C1.
What is the InChIKey of 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
The InChIKey is ZXRFLXGXJCPWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-8-13-11(6-4-10-15-13)5-3-9-14-12(13)7-1/h1-10H.
What are the key properties of 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene?
2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene has a molecular weight of 194.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12,14-heptaene is sourced from PubChem (CID 152731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).