azane;benzene-1,4-dicarbonitrile

C8H7N3 — CID 174336566

IUPACazane;benzene-1,4-dicarbonitrile
SMILESN.N#Cc1ccc(C#N)cc1
InChIInChI=1S/C8H4N2.H3N/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H;1H3
InChIKeyCUKQGRKUDWHEOK-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.59
Rot. Bonds

About azane;benzene-1,4-dicarbonitrile

azane;benzene-1,4-dicarbonitrile (PubChem CID 174336566) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is azane;benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Nameazane;benzene-1,4-dicarbonitrile
PubChem CID174336566
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Nameazane;benzene-1,4-dicarbonitrile
SMILESN.N#Cc1ccc(C#N)cc1
InChIInChI=1S/C8H4N2.H3N/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H;1H3
InChIKeyCUKQGRKUDWHEOK-UHFFFAOYSA-N
XLogP1.59
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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azulene-6-carbonitrile
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4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
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CID 172735512
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4-(2-sulfanylethynyl)benzonitrile
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4-hydroxysulfanylbenzonitrile
CID 67172799
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CID 174392675

Frequently Asked Questions

What is the IUPAC name of azane;benzene-1,4-dicarbonitrile?
The IUPAC name of azane;benzene-1,4-dicarbonitrile (CID 174336566) is azane;benzene-1,4-dicarbonitrile.
What is the SMILES notation for azane;benzene-1,4-dicarbonitrile?
The canonical SMILES for azane;benzene-1,4-dicarbonitrile is N.N#Cc1ccc(C#N)cc1.
What is the InChIKey of azane;benzene-1,4-dicarbonitrile?
The InChIKey is CUKQGRKUDWHEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2.H3N/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H;1H3.
What are the key properties of azane;benzene-1,4-dicarbonitrile?
azane;benzene-1,4-dicarbonitrile has a molecular weight of 145.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene-1,4-dicarbonitrile is sourced from PubChem (CID 174336566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).