2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

C13H7N5 — CID 87424495

IUPAC2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1cnnc2cc3c(ccc4ncnc43)nc2c1
InChIInChI=1S/C13H7N5/c1-2-10-12(18-16-5-1)6-8-9(17-10)3-4-11-13(8)15-7-14-11/h1-7H
InChIKeyDWMJLIIQXBGHPX-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.12
Rot. Bonds

About 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (PubChem CID 87424495) has the molecular formula C13H7N5 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

Compound Name2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
PubChem CID87424495
Molecular FormulaC13H7N5
Molecular Weight233.23 g/mol
Exact Mass233.07
IUPAC Name2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1cnnc2cc3c(ccc4ncnc43)nc2c1
InChIInChI=1S/C13H7N5/c1-2-10-12(18-16-5-1)6-8-9(17-10)3-4-11-13(8)15-7-14-11/h1-7H
InChIKeyDWMJLIIQXBGHPX-UHFFFAOYSA-N
XLogP2.12
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The IUPAC name of 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (CID 87424495) is 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.
What is the SMILES notation for 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The canonical SMILES for 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is c1cnnc2cc3c(ccc4ncnc43)nc2c1.
What is the InChIKey of 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The InChIKey is DWMJLIIQXBGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5/c1-2-10-12(18-16-5-1)6-8-9(17-10)3-4-11-13(8)15-7-14-11/h1-7H.
What are the key properties of 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 233.23 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8,13,15-pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 87424495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).