3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile

C14H10N4 — CID 172543718

IUPAC3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
SMILESN#Cc1ccccc2c3c(N)nc(N)ccc-3c1-2
InChIInChI=1S/C14H10N4/c15-7-8-3-1-2-4-9-12(8)10-5-6-11(16)18-14(17)13(9)10/h1-6H,(H4,16,17,18)
InChIKeyWASWMZPZZYFLQO-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.33
Rot. Bonds

About 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile

3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile (PubChem CID 172543718) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile.

Molecular Properties

Compound Name3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
PubChem CID172543718
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
SMILESN#Cc1ccccc2c3c(N)nc(N)ccc-3c1-2
InChIInChI=1S/C14H10N4/c15-7-8-3-1-2-4-9-12(8)10-5-6-11(16)18-14(17)13(9)10/h1-6H,(H4,16,17,18)
InChIKeyWASWMZPZZYFLQO-UHFFFAOYSA-N
XLogP2.33
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
The IUPAC name of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile (CID 172543718) is 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile.
What is the SMILES notation for 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
The canonical SMILES for 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile is N#Cc1ccccc2c3c(N)nc(N)ccc-3c1-2.
What is the InChIKey of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
The InChIKey is WASWMZPZZYFLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-7-8-3-1-2-4-9-12(8)10-5-6-11(16)18-14(17)13(9)10/h1-6H,(H4,16,17,18).
What are the key properties of 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile is sourced from PubChem (CID 172543718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).