7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C13H16N4O3 — CID 140685437

IUPAC7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC1CCNC2Cn3cc(C(N)=O)c(=O)cc3C(=O)N12
InChIInChI=1S/C13H16N4O3/c1-7-2-3-15-11-6-16-5-8(12(14)19)10(18)4-9(16)13(20)17(7)11/h4-5,7,11,15H,2-3,6H2,1H3,(H2,14,19)
InChIKeyFYABBGIZXFPMGE-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.89
Rot. Bonds1

About 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 140685437) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
PubChem CID140685437
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC1CCNC2Cn3cc(C(N)=O)c(=O)cc3C(=O)N12
InChIInChI=1S/C13H16N4O3/c1-7-2-3-15-11-6-16-5-8(12(14)19)10(18)4-9(16)13(20)17(7)11/h4-5,7,11,15H,2-3,6H2,1H3,(H2,14,19)
InChIKeyFYABBGIZXFPMGE-UHFFFAOYSA-N
XLogP-0.89
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 140685437) is 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.
What is the SMILES notation for 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is CC1CCNC2Cn3cc(C(N)=O)c(=O)cc3C(=O)N12.
What is the InChIKey of 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is FYABBGIZXFPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-2-3-15-11-6-16-5-8(12(14)19)10(18)4-9(16)13(20)17(7)11/h4-5,7,11,15H,2-3,6H2,1H3,(H2,14,19).
What are the key properties of 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 140685437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).