2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C14H9N3 — CID 177447958

IUPAC2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc2nc3[nH]c4ccncc4c3cc2c1
InChIInChI=1S/C14H9N3/c1-2-4-12-9(3-1)7-10-11-8-15-6-5-13(11)17-14(10)16-12/h1-8H,(H,16,17)
InChIKeyANGFHYYBNAWCFH-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.26
Rot. Bonds

About 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 177447958) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID177447958
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc2nc3[nH]c4ccncc4c3cc2c1
InChIInChI=1S/C14H9N3/c1-2-4-12-9(3-1)7-10-11-8-15-6-5-13(11)17-14(10)16-12/h1-8H,(H,16,17)
InChIKeyANGFHYYBNAWCFH-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130353312
ethane;5H-pyrido[4,3-b]indole
CID 176987523
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
11-methyl-6H-indolo[2,3-b][1,6]naphthyridine
CID 10776002
9,11,15-triazatetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12(17),13,15-octaen-18-one
CID 136901805
11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
CID 155583870
10-(6H-indolo[2,3-b]quinolin-8-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 146328811
CID 158812485
CID 158812485
11-(2,5-di(19F)fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159892122
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
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8-bromo-5H-pyrido[4,3-b]indole
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Frequently Asked Questions

What is the IUPAC name of 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 177447958) is 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc2nc3[nH]c4ccncc4c3cc2c1.
What is the InChIKey of 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is ANGFHYYBNAWCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-12-9(3-1)7-10-11-8-15-6-5-13(11)17-14(10)16-12/h1-8H,(H,16,17).
What are the key properties of 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 219.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 177447958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).