3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide

C11H14N4O — CID 70978549

IUPAC3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
SMILESNC(=O)C1=CCN2CC3=C(NCC=C3)C2N1
InChIInChI=1S/C11H14N4O/c12-10(16)8-3-5-15-6-7-2-1-4-13-9(7)11(15)14-8/h1-3,11,13-14H,4-6H2,(H2,12,16)
InChIKeyHELFXVUDWIGPEA-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.99
Rot. Bonds1

About 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide

3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide (PubChem CID 70978549) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide.

Molecular Properties

Compound Name3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
PubChem CID70978549
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
SMILESNC(=O)C1=CCN2CC3=C(NCC=C3)C2N1
InChIInChI=1S/C11H14N4O/c12-10(16)8-3-5-15-6-7-2-1-4-13-9(7)11(15)14-8/h1-3,11,13-14H,4-6H2,(H2,12,16)
InChIKeyHELFXVUDWIGPEA-UHFFFAOYSA-N
XLogP-0.99
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide?
The IUPAC name of 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide (CID 70978549) is 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide.
What is the SMILES notation for 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide?
The canonical SMILES for 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide is NC(=O)C1=CCN2CC3=C(NCC=C3)C2N1.
What is the InChIKey of 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide?
The InChIKey is HELFXVUDWIGPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-10(16)8-3-5-15-6-7-2-1-4-13-9(7)11(15)14-8/h1-3,11,13-14H,4-6H2,(H2,12,16).
What are the key properties of 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide?
3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide has a molecular weight of 218.26 g/mol, XLogP of -0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide is sourced from PubChem (CID 70978549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).