1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide

C11H16N4O — CID 123489655

IUPAC1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide
SMILESNC(=O)C1CC=C2CC3CNCCN3C2=N1
InChIInChI=1S/C11H16N4O/c12-10(16)9-2-1-7-5-8-6-13-3-4-15(8)11(7)14-9/h1,8-9,13H,2-6H2,(H2,12,16)
InChIKeyUFCABBIBWHLCDP-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.75
Rot. Bonds1

About 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide

1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide (PubChem CID 123489655) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide.

Molecular Properties

Compound Name1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide
PubChem CID123489655
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide
SMILESNC(=O)C1CC=C2CC3CNCCN3C2=N1
InChIInChI=1S/C11H16N4O/c12-10(16)9-2-1-7-5-8-6-13-3-4-15(8)11(7)14-9/h1,8-9,13H,2-6H2,(H2,12,16)
InChIKeyUFCABBIBWHLCDP-UHFFFAOYSA-N
XLogP-0.75
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide?
The IUPAC name of 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide (CID 123489655) is 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide.
What is the SMILES notation for 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide?
The canonical SMILES for 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide is NC(=O)C1CC=C2CC3CNCCN3C2=N1.
What is the InChIKey of 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide?
The InChIKey is UFCABBIBWHLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-10(16)9-2-1-7-5-8-6-13-3-4-15(8)11(7)14-9/h1,8-9,13H,2-6H2,(H2,12,16).
What are the key properties of 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide?
1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,6-diene-4-carboxamide is sourced from PubChem (CID 123489655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).