2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene

C10H6N6 — CID 58162477

IUPAC2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene
SMILESc1cnc2c(c1)c1ncnn1c1ccnn21
InChIInChI=1S/C10H6N6/c1-2-7-9(11-4-1)15-8(3-5-13-15)16-10(7)12-6-14-16/h1-6H
InChIKeyQRYOYHPMAOQKDT-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.93
Rot. Bonds

About 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene

2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene (PubChem CID 58162477) has the molecular formula C10H6N6 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene.

Molecular Properties

Compound Name2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene
PubChem CID58162477
Molecular FormulaC10H6N6
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene
SMILESc1cnc2c(c1)c1ncnn1c1ccnn21
InChIInChI=1S/C10H6N6/c1-2-7-9(11-4-1)15-8(3-5-13-15)16-10(7)12-6-14-16/h1-6H
InChIKeyQRYOYHPMAOQKDT-UHFFFAOYSA-N
XLogP0.93
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene with MolForge

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Related Compounds

2,3,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaene
CID 58162469
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine
CID 103318526
2,3,8,21-tetrazapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),3,5,7(12),8,10,14,16,18,20-decaene
CID 140950598
6-iodo-9-pyridin-2-ylpyrido[2,3-b]indole
CID 134576120
4-oxa-8-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaene
CID 58262111
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
9-methylpyrido[2,3-b]indole
CID 12596580
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723
1-chloro-3-iodopyrrolo[2,3-b]pyridine
CID 141210640
2-(5-methyl-1,2,4-triazol-1-yl)pyridine
CID 154284403

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene?
The IUPAC name of 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene (CID 58162477) is 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene.
What is the SMILES notation for 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene?
The canonical SMILES for 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene is c1cnc2c(c1)c1ncnn1c1ccnn21.
What is the InChIKey of 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene?
The InChIKey is QRYOYHPMAOQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6/c1-2-7-9(11-4-1)15-8(3-5-13-15)16-10(7)12-6-14-16/h1-6H.
What are the key properties of 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene?
2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene has a molecular weight of 210.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,10,16-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,8,10,13,15-heptaene is sourced from PubChem (CID 58162477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).