10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

C14H18N4O3 — CID 164590290

IUPAC10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
SMILESCC1CCC(C)N2CN1C(=O)c1cc(=O)c(C(N)=O)cn12
InChIInChI=1S/C14H18N4O3/c1-8-3-4-9(2)18-7-16(8)14(21)11-5-12(19)10(13(15)20)6-17(11)18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,20)
InChIKeyYZAADJFXUMCYGF-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.13
Rot. Bonds1

About 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (PubChem CID 164590290) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.

Molecular Properties

Compound Name10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
PubChem CID164590290
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
SMILESCC1CCC(C)N2CN1C(=O)c1cc(=O)c(C(N)=O)cn12
InChIInChI=1S/C14H18N4O3/c1-8-3-4-9(2)18-7-16(8)14(21)11-5-12(19)10(13(15)20)6-17(11)18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,20)
InChIKeyYZAADJFXUMCYGF-UHFFFAOYSA-N
XLogP-0.13
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
The IUPAC name of 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (CID 164590290) is 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.
What is the SMILES notation for 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
The canonical SMILES for 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is CC1CCC(C)N2CN1C(=O)c1cc(=O)c(C(N)=O)cn12.
What is the InChIKey of 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
The InChIKey is YZAADJFXUMCYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-3-4-9(2)18-7-16(8)14(21)11-5-12(19)10(13(15)20)6-17(11)18/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,20).
What are the key properties of 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?
10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-5,8-dioxo-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is sourced from PubChem (CID 164590290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).