1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid

C10H9N3O2 — CID 175927555

IUPAC1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid
SMILESO=C(O)c1cn2c3c(ccc2n1)NCC3
InChIInChI=1S/C10H9N3O2/c14-10(15)7-5-13-8-3-4-11-6(8)1-2-9(13)12-7/h1-2,5,11H,3-4H2,(H,14,15)
InChIKeyHXDYFIATXQXCAZ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.00
Rot. Bonds1

About 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid

1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid (PubChem CID 175927555) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid.

Molecular Properties

Compound Name1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid
PubChem CID175927555
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid
SMILESO=C(O)c1cn2c3c(ccc2n1)NCC3
InChIInChI=1S/C10H9N3O2/c14-10(15)7-5-13-8-3-4-11-6(8)1-2-9(13)12-7/h1-2,5,11H,3-4H2,(H,14,15)
InChIKeyHXDYFIATXQXCAZ-UHFFFAOYSA-N
XLogP1.00
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid?
The IUPAC name of 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid (CID 175927555) is 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid.
What is the SMILES notation for 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid?
The canonical SMILES for 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid is O=C(O)c1cn2c3c(ccc2n1)NCC3.
What is the InChIKey of 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid?
The InChIKey is HXDYFIATXQXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)7-5-13-8-3-4-11-6(8)1-2-9(13)12-7/h1-2,5,11H,3-4H2,(H,14,15).
What are the key properties of 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid?
1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylic acid is sourced from PubChem (CID 175927555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).