10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene

C13H8N2 — CID 46217408

IUPAC10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc2c(c1)c1cccc3ncc2n31
InChIInChI=1S/C13H8N2/c1-2-5-10-9(4-1)11-6-3-7-13-14-8-12(10)15(11)13/h1-8H
InChIKeyRVOAWUBHFCINFH-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.08
Rot. Bonds

About 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene

10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 46217408) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID46217408
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Name10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc2c(c1)c1cccc3ncc2n31
InChIInChI=1S/C13H8N2/c1-2-5-10-9(4-1)11-6-3-7-13-14-8-12(10)15(11)13/h1-8H
InChIKeyRVOAWUBHFCINFH-UHFFFAOYSA-N
XLogP3.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 46217408) is 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc2c(c1)c1cccc3ncc2n31.
What is the InChIKey of 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is RVOAWUBHFCINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c1-2-5-10-9(4-1)11-6-3-7-13-14-8-12(10)15(11)13/h1-8H.
What are the key properties of 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 192.22 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 46217408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).