3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide

C12H14N4O2 — CID 135409244

IUPAC3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide
SMILESNC(=O)c1c2n(c3c(=O)[nH]cnc13)CCCCC2
InChIInChI=1S/C12H14N4O2/c13-11(17)8-7-4-2-1-3-5-16(7)10-9(8)14-6-15-12(10)18/h6H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyJEAXNVHFALHSKE-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.55
Rot. Bonds1

About 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide

3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide (PubChem CID 135409244) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide.

Molecular Properties

Compound Name3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide
PubChem CID135409244
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide
SMILESNC(=O)c1c2n(c3c(=O)[nH]cnc13)CCCCC2
InChIInChI=1S/C12H14N4O2/c13-11(17)8-7-4-2-1-3-5-16(7)10-9(8)14-6-15-12(10)18/h6H,1-5H2,(H2,13,17)(H,14,15,18)
InChIKeyJEAXNVHFALHSKE-UHFFFAOYSA-N
XLogP0.55
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide 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 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide?
The IUPAC name of 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide (CID 135409244) is 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide.
What is the SMILES notation for 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide?
The canonical SMILES for 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide is NC(=O)c1c2n(c3c(=O)[nH]cnc13)CCCCC2.
What is the InChIKey of 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide?
The InChIKey is JEAXNVHFALHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-11(17)8-7-4-2-1-3-5-16(7)10-9(8)14-6-15-12(10)18/h6H,1-5H2,(H2,13,17)(H,14,15,18).
What are the key properties of 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide?
3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carboxamide is sourced from PubChem (CID 135409244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).