3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene

C14H11N3 — CID 149253814

IUPAC3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene
SMILESC1=CC2=CC3=C4NC=CN=C4C=CN3C2C=C1
InChIInChI=1S/C14H11N3/c1-2-4-12-10(3-1)9-13-14-11(5-8-17(12)13)15-6-7-16-14/h1-9,12,16H
InChIKeyYXYUQWIRAQVIMA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.98
Rot. Bonds

About 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene

3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene (PubChem CID 149253814) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene.

Molecular Properties

Compound Name3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene
PubChem CID149253814
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene
SMILESC1=CC2=CC3=C4NC=CN=C4C=CN3C2C=C1
InChIInChI=1S/C14H11N3/c1-2-4-12-10(3-1)9-13-14-11(5-8-17(12)13)15-6-7-16-14/h1-9,12,16H
InChIKeyYXYUQWIRAQVIMA-UHFFFAOYSA-N
XLogP1.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
The IUPAC name of 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene (CID 149253814) is 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene.
What is the SMILES notation for 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
The canonical SMILES for 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene is C1=CC2=CC3=C4NC=CN=C4C=CN3C2C=C1.
What is the InChIKey of 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
The InChIKey is YXYUQWIRAQVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-4-12-10(3-1)9-13-14-11(5-8-17(12)13)15-6-7-16-14/h1-9,12,16H.
What are the key properties of 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene?
3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene has a molecular weight of 221.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,12,14,16-heptaene is sourced from PubChem (CID 149253814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).