5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile

C14H10N4 — CID 172543967

IUPAC5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
SMILESN#Cc1ccccc2c3c(N)cc(N)ncc-3c1-2
InChIInChI=1S/C14H10N4/c15-6-8-3-1-2-4-9-13(8)10-7-18-12(17)5-11(16)14(9)10/h1-5,7H,16H2,(H2,17,18)
InChIKeyYBBHASVAKYFNID-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.33
Rot. Bonds

About 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile

5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile (PubChem CID 172543967) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile.

Molecular Properties

Compound Name5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
PubChem CID172543967
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile
SMILESN#Cc1ccccc2c3c(N)cc(N)ncc-3c1-2
InChIInChI=1S/C14H10N4/c15-6-8-3-1-2-4-9-13(8)10-7-18-12(17)5-11(16)14(9)10/h1-5,7H,16H2,(H2,17,18)
InChIKeyYBBHASVAKYFNID-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

Analyze 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
The IUPAC name of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile (CID 172543967) is 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile.
What is the SMILES notation for 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
The canonical SMILES for 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile is N#Cc1ccccc2c3c(N)cc(N)ncc-3c1-2.
What is the InChIKey of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
The InChIKey is YBBHASVAKYFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-6-8-3-1-2-4-9-13(8)10-7-18-12(17)5-11(16)14(9)10/h1-5,7H,16H2,(H2,17,18).
What are the key properties of 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile?
5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-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 5,7-diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-14-carbonitrile is sourced from PubChem (CID 172543967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).