2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C11H7N5 — CID 137250074

IUPAC2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1ccc2c(c1)[nH]c1c2nnc2nccn21
InChIInChI=1S/C11H7N5/c1-2-4-8-7(3-1)9-10(13-8)16-6-5-12-11(16)15-14-9/h1-6,13H
InChIKeyHYXRAOGNFVBBIW-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.76
Rot. Bonds

About 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 137250074) has the molecular formula C11H7N5 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID137250074
Molecular FormulaC11H7N5
Molecular Weight209.21 g/mol
Exact Mass209.07
IUPAC Name2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1ccc2c(c1)[nH]c1c2nnc2nccn21
InChIInChI=1S/C11H7N5/c1-2-4-8-7(3-1)9-10(13-8)16-6-5-12-11(16)15-14-9/h1-6,13H
InChIKeyHYXRAOGNFVBBIW-UHFFFAOYSA-N
XLogP1.76
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene with MolForge

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Related Compounds

4H-imidazo[1,2-a]benzimidazole;dihydrobromide
CID 162316103
N-pyridin-4-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6407275
5H-[1,2,4]triazino[5,6-b]indole-3-thiolate
CID 6412479
9H-carbazole
CID 66668984
4-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-5H-[1,2,4]triazino[5,6-b]indol-3-one
CID 135492484
12-chloro-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene;hydrochloride
CID 21142140
ethane;3-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 91259298
2,5,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
CID 91665917
bis(9H-carbazole);platinum(2+)
CID 175826437
9H-carbazole;copper
CID 159878189
ethyl 4-amino-2,3,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene-5-carboxylate
CID 137193327
8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 616556

Frequently Asked Questions

What is the IUPAC name of 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 137250074) is 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1ccc2c(c1)[nH]c1c2nnc2nccn21.
What is the InChIKey of 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is HYXRAOGNFVBBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5/c1-2-4-8-7(3-1)9-10(13-8)16-6-5-12-11(16)15-14-9/h1-6,13H.
What are the key properties of 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 209.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 137250074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).