1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene

C13H11N3 — CID 161207252

IUPAC1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene
SMILESc1ccc2cccc3cccnc3n-2[nH]c1
InChIInChI=1S/C13H11N3/c1-2-10-15-16-12(7-1)8-3-5-11-6-4-9-14-13(11)16/h1-10,15H
InChIKeyUVTPRPLLFVAQHN-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.92
Rot. Bonds

About 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene

1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene (PubChem CID 161207252) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene.

Molecular Properties

Compound Name1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene
PubChem CID161207252
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene
SMILESc1ccc2cccc3cccnc3n-2[nH]c1
InChIInChI=1S/C13H11N3/c1-2-10-15-16-12(7-1)8-3-5-11-6-4-9-14-13(11)16/h1-10,15H
InChIKeyUVTPRPLLFVAQHN-UHFFFAOYSA-N
XLogP2.92
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene with MolForge

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Related Compounds

1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
2-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]pyridine
CID 139192071
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
1-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
CID 1483570
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
1-chloro-1,8-naphthyridin-2-one
CID 154368261
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 141324594
1-methylpyrrolo[2,3-b]pyridine;propane
CID 144881648
5-methyl-2-phenyl-4-(quinolin-8-yldiazenyl)-1H-pyrazole-3-thione
CID 137240453
ethane;1-methylpyrrolo[2,3-b]pyridine;toluene
CID 143220810
tris(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)bismuthane
CID 138972796

Frequently Asked Questions

What is the IUPAC name of 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene?
The IUPAC name of 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene (CID 161207252) is 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene.
What is the SMILES notation for 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene?
The canonical SMILES for 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene is c1ccc2cccc3cccnc3n-2[nH]c1.
What is the InChIKey of 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene?
The InChIKey is UVTPRPLLFVAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-10-15-16-12(7-1)8-3-5-11-6-4-9-14-13(11)16/h1-10,15H.
What are the key properties of 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene?
1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene has a molecular weight of 209.25 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,16-triazatricyclo[9.5.0.02,7]hexadeca-2(7),3,5,8,10,12,14-heptaene is sourced from PubChem (CID 161207252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).