13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine

C15H11N3 — CID 151175251

IUPAC13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine
SMILESNc1nccc2c1=c1ccc3c(c1N=2)CC=CC=3
InChIInChI=1S/C15H11N3/c16-15-13-11-6-5-9-3-1-2-4-10(9)14(11)18-12(13)7-8-17-15/h1-3,5-8H,4H2,(H2,16,17)
InChIKeyNDDCORYMPXXVNP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.11
Rot. Bonds

About 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine

13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine (PubChem CID 151175251) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine.

Molecular Properties

Compound Name13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine
PubChem CID151175251
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine
SMILESNc1nccc2c1=c1ccc3c(c1N=2)CC=CC=3
InChIInChI=1S/C15H11N3/c16-15-13-11-6-5-9-3-1-2-4-10(9)14(11)18-12(13)7-8-17-15/h1-3,5-8H,4H2,(H2,16,17)
InChIKeyNDDCORYMPXXVNP-UHFFFAOYSA-N
XLogP1.11
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine?
The IUPAC name of 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine (CID 151175251) is 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine.
What is the SMILES notation for 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine?
The canonical SMILES for 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine is Nc1nccc2c1=c1ccc3c(c1N=2)CC=CC=3.
What is the InChIKey of 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine?
The InChIKey is NDDCORYMPXXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-15-13-11-6-5-9-3-1-2-4-10(9)14(11)18-12(13)7-8-17-15/h1-3,5-8H,4H2,(H2,16,17).
What are the key properties of 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine?
13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine has a molecular weight of 233.27 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,4,6,8,10,12,14,16-octaen-12-amine is sourced from PubChem (CID 151175251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).