15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene

C14H14N2 — CID 58836151

IUPAC15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene
SMILESc1cc2nc(c1)Cc1cccc(n1)CCC2
InChIInChI=1S/C14H14N2/c1-4-11-6-2-8-13(15-11)10-14-9-3-7-12(5-1)16-14/h2-3,6-9H,1,4-5,10H2
InChIKeyIHJXYXPYUGJSGQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.56
Rot. Bonds

About 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene

15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene (PubChem CID 58836151) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene.

Molecular Properties

Compound Name15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene
PubChem CID58836151
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene
SMILESc1cc2nc(c1)Cc1cccc(n1)CCC2
InChIInChI=1S/C14H14N2/c1-4-11-6-2-8-13(15-11)10-14-9-3-7-12(5-1)16-14/h2-3,6-9H,1,4-5,10H2
InChIKeyIHJXYXPYUGJSGQ-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene with MolForge

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Related Compounds

17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CID 102340660
27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene
CID 21365713
5,13,14-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3,5,7(14),9,11-hexaene
CID 134507697
2,8-dimethyl-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3(21),4,6,9,11,13(20),15(19),16-nonaene
CID 58225032
10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
CID 167345618
6,9-dioxa-3,18-diazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
CID 161101695
3,9-dioxa-15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-4,8-dione
CID 13299240
5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
CID 134507677
14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene
CID 163539764
6-azabicyclo[3.1.1]hepta-1(6),2,4-triene;fluoro carbonofluoridate
CID 174410413
(2S,3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
CID 162978524
3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene
CID 101482918

Frequently Asked Questions

What is the IUPAC name of 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene?
The IUPAC name of 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene (CID 58836151) is 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene.
What is the SMILES notation for 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene?
The canonical SMILES for 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene is c1cc2nc(c1)Cc1cccc(n1)CCC2.
What is the InChIKey of 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene?
The InChIKey is IHJXYXPYUGJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-4-11-6-2-8-13(15-11)10-14-9-3-7-12(5-1)16-14/h2-3,6-9H,1,4-5,10H2.
What are the key properties of 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene?
15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene has a molecular weight of 210.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene is sourced from PubChem (CID 58836151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).