4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile

C14H9N3 — CID 172544102

IUPAC4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile
SMILESN#Cc1ccc2nc(N)cc-2c2cccc-2c1
InChIInChI=1S/C14H9N3/c15-8-9-4-5-13-12(7-14(16)17-13)11-3-1-2-10(11)6-9/h1-7H,(H2,16,17)
InChIKeyAWHFPQMSIJSOHT-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.75
Rot. Bonds

About 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile

4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile (PubChem CID 172544102) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile.

Molecular Properties

Compound Name4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile
PubChem CID172544102
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile
SMILESN#Cc1ccc2nc(N)cc-2c2cccc-2c1
InChIInChI=1S/C14H9N3/c15-8-9-4-5-13-12(7-14(16)17-13)11-3-1-2-10(11)6-9/h1-7H,(H2,16,17)
InChIKeyAWHFPQMSIJSOHT-UHFFFAOYSA-N
XLogP2.75
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile?
The IUPAC name of 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile (CID 172544102) is 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile.
What is the SMILES notation for 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile?
The canonical SMILES for 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile is N#Cc1ccc2nc(N)cc-2c2cccc-2c1.
What is the InChIKey of 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile?
The InChIKey is AWHFPQMSIJSOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-8-9-4-5-13-12(7-14(16)17-13)11-3-1-2-10(11)6-9/h1-7H,(H2,16,17).
What are the key properties of 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile?
4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile has a molecular weight of 219.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-azatricyclo[9.3.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-9-carbonitrile is sourced from PubChem (CID 172544102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).