6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile

C10H9N5 — CID 91732686

IUPAC6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile
SMILESN#Cc1c2c(nc3n[nH]c(N)c13)CCC2
InChIInChI=1S/C10H9N5/c11-4-6-5-2-1-3-7(5)13-10-8(6)9(12)14-15-10/h1-3H2,(H3,12,13,14,15)
InChIKeyXPXOPMPDOIQPMI-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.90
Rot. Bonds

About 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile

6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile (PubChem CID 91732686) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile.

Molecular Properties

Compound Name6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile
PubChem CID91732686
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile
SMILESN#Cc1c2c(nc3n[nH]c(N)c13)CCC2
InChIInChI=1S/C10H9N5/c11-4-6-5-2-1-3-7(5)13-10-8(6)9(12)14-15-10/h1-3H2,(H3,12,13,14,15)
InChIKeyXPXOPMPDOIQPMI-UHFFFAOYSA-N
XLogP0.90
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-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 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile?
The IUPAC name of 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile (CID 91732686) is 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile.
What is the SMILES notation for 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile?
The canonical SMILES for 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile is N#Cc1c2c(nc3n[nH]c(N)c13)CCC2.
What is the InChIKey of 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile?
The InChIKey is XPXOPMPDOIQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-4-6-5-2-1-3-7(5)13-10-8(6)9(12)14-15-10/h1-3H2,(H3,12,13,14,15).
What are the key properties of 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile?
6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile is sourced from PubChem (CID 91732686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).