9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C15H20N4O3 — CID 164809832

About 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 164809832) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

• Compound Name: 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
• PubChem CID: 164809832
• Molecular Formula: C15H20N4O3
• Molecular Weight: 304.35 g/mol
• Exact Mass: 304.15
• IUPAC Name: 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
• SMILES: CC(C)N1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC21
• InChI: InChI=1S/C15H20N4O3/c1-9(2)18-4-3-5-19-13(18)8-17-7-10(14(16)21)12(20)6-11(17)15(19)22/h6-7,9,13H,3-5,8H2,1-2H3,(H2,16,21)
• InChIKey: QTRZEFFRNPBXDC-UHFFFAOYSA-N
• XLogP: -0.16
• TPSA: 88.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.35
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

The IUPAC name of 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 164809832) is 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

What is the SMILES notation for 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

The canonical SMILES for 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is CC(C)N1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC21.

What is the InChIKey of 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

The InChIKey is QTRZEFFRNPBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(2)18-4-3-5-19-13(18)8-17-7-10(14(16)21)12(20)6-11(17)15(19)22/h6-7,9,13H,3-5,8H2,1-2H3,(H2,16,21).

What are the key properties of 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 304.35 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 164809832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).