naphthalene-1,2,8-tricarbonitrile

C13H5N3 — CID 54287628

IUPACnaphthalene-1,2,8-tricarbonitrile
SMILESN#Cc1ccc2cccc(C#N)c2c1C#N
InChIInChI=1S/C13H5N3/c14-6-10-5-4-9-2-1-3-11(7-15)13(9)12(10)8-16/h1-5H
InChIKeyXNTMLBOFHRZZFN-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.45
Rot. Bonds

About naphthalene-1,2,8-tricarbonitrile

naphthalene-1,2,8-tricarbonitrile (PubChem CID 54287628) has the molecular formula C13H5N3 and a molecular weight of 203.20 g/mol. Its IUPAC name is naphthalene-1,2,8-tricarbonitrile.

Molecular Properties

Compound Namenaphthalene-1,2,8-tricarbonitrile
PubChem CID54287628
Molecular FormulaC13H5N3
Molecular Weight203.20 g/mol
Exact Mass203.05
IUPAC Namenaphthalene-1,2,8-tricarbonitrile
SMILESN#Cc1ccc2cccc(C#N)c2c1C#N
InChIInChI=1S/C13H5N3/c14-6-10-5-4-9-2-1-3-11(7-15)13(9)12(10)8-16/h1-5H
InChIKeyXNTMLBOFHRZZFN-UHFFFAOYSA-N
XLogP2.45
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,8-tricarbonitrile?
The IUPAC name of naphthalene-1,2,8-tricarbonitrile (CID 54287628) is naphthalene-1,2,8-tricarbonitrile.
What is the SMILES notation for naphthalene-1,2,8-tricarbonitrile?
The canonical SMILES for naphthalene-1,2,8-tricarbonitrile is N#Cc1ccc2cccc(C#N)c2c1C#N.
What is the InChIKey of naphthalene-1,2,8-tricarbonitrile?
The InChIKey is XNTMLBOFHRZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5N3/c14-6-10-5-4-9-2-1-3-11(7-15)13(9)12(10)8-16/h1-5H.
What are the key properties of naphthalene-1,2,8-tricarbonitrile?
naphthalene-1,2,8-tricarbonitrile has a molecular weight of 203.20 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,8-tricarbonitrile is sourced from PubChem (CID 54287628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).