8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene

C12H7N5 — CID 146336922

IUPAC8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene
SMILESc1ccc2c(c1)ncc1c2nn2ccnnc12
InChIInChI=1S/C12H7N5/c1-2-4-10-8(3-1)11-9(7-13-10)12-15-14-5-6-17(12)16-11/h1-7H
InChIKeyBYKYISJXTCOJLC-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.83
Rot. Bonds

About 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene

8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene (PubChem CID 146336922) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene
PubChem CID146336922
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene
SMILESc1ccc2c(c1)ncc1c2nn2ccnnc12
InChIInChI=1S/C12H7N5/c1-2-4-10-8(3-1)11-9(7-13-10)12-15-14-5-6-17(12)16-11/h1-7H
InChIKeyBYKYISJXTCOJLC-UHFFFAOYSA-N
XLogP1.83
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene with MolForge

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Related Compounds

2,10,13,21-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 12589043
hydron;imidazo[1,2-c]quinazoline
CID 174874267
13-amino-8,12,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene-14,15-dicarbonitrile
CID 10613115
6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 129303441
[1,2,4]triazino[5,6-c]quinolin-3-amine
CID 6410405
[1,2,5]oxadiazolo[3,4-c]quinoline
CID 91665531
2-benzo[h][1,6]naphthyridin-4-ylethanol
CID 86253335
4,6,8,15-tetrazapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
CID 140949868
3H-pyrimido[5,4-c]quinolin-4-one
CID 135802600
phenanthridine
CID 9189
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
4-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]quinazoline
CID 166605547

Frequently Asked Questions

What is the IUPAC name of 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
The IUPAC name of 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene (CID 146336922) is 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene is c1ccc2c(c1)ncc1c2nn2ccnnc12.
What is the InChIKey of 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
The InChIKey is BYKYISJXTCOJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c1-2-4-10-8(3-1)11-9(7-13-10)12-15-14-5-6-17(12)16-11/h1-7H.
What are the key properties of 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene has a molecular weight of 221.22 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12,13,16,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 146336922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).