1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene

C15H14N2 — CID 54606361

IUPAC1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene
SMILESC1=CN2CCCN3C=CC=c4ccc(c2c43)=C1
InChIInChI=1S/C15H14N2/c1-4-12-6-7-13-5-2-9-17-11-3-10-16(8-1)14(12)15(13)17/h1-2,4-9H,3,10-11H2
InChIKeyRUHSFAQUFXRCRY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds

About 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene

1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene (PubChem CID 54606361) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene.

Molecular Properties

Compound Name1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene
PubChem CID54606361
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene
SMILESC1=CN2CCCN3C=CC=c4ccc(c2c43)=C1
InChIInChI=1S/C15H14N2/c1-4-12-6-7-13-5-2-9-17-11-3-10-16(8-1)14(12)15(13)17/h1-2,4-9H,3,10-11H2
InChIKeyRUHSFAQUFXRCRY-UHFFFAOYSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene?
The IUPAC name of 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene (CID 54606361) is 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene.
What is the SMILES notation for 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene?
The canonical SMILES for 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene is C1=CN2CCCN3C=CC=c4ccc(c2c43)=C1.
What is the InChIKey of 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene?
The InChIKey is RUHSFAQUFXRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-4-12-6-7-13-5-2-9-17-11-3-10-16(8-1)14(12)15(13)17/h1-2,4-9H,3,10-11H2.
What are the key properties of 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene?
1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene has a molecular weight of 222.29 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazatetracyclo[7.6.2.05,17.012,16]heptadeca-6,8,10,12,14,16-hexaene is sourced from PubChem (CID 54606361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).