N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide

C13H14N4O2 — CID 175129456

IUPACN,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide
SMILESCN(C)C(=O)c1cnc2n1CCn1ccc(=O)cc1-2
InChIInChI=1S/C13H14N4O2/c1-15(2)13(19)11-8-14-12-10-7-9(18)3-4-16(10)5-6-17(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZTKWWCWGDIRXIL-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.43
Rot. Bonds1

About N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide

N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide (PubChem CID 175129456) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide
PubChem CID175129456
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide
SMILESCN(C)C(=O)c1cnc2n1CCn1ccc(=O)cc1-2
InChIInChI=1S/C13H14N4O2/c1-15(2)13(19)11-8-14-12-10-7-9(18)3-4-16(10)5-6-17(11)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyZTKWWCWGDIRXIL-UHFFFAOYSA-N
XLogP0.43
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide?
The IUPAC name of N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide (CID 175129456) is N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide?
The canonical SMILES for N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide is CN(C)C(=O)c1cnc2n1CCn1ccc(=O)cc1-2.
What is the InChIKey of N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide?
The InChIKey is ZTKWWCWGDIRXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-15(2)13(19)11-8-14-12-10-7-9(18)3-4-16(10)5-6-17(11)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide?
N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-12-oxo-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraene-5-carboxamide is sourced from PubChem (CID 175129456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).