2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one

C10H7N3O — CID 56974445

IUPAC2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one
SMILESO=c1cc[nH]c2c1ncc1cccn12
InChIInChI=1S/C10H7N3O/c14-8-3-4-11-10-9(8)12-6-7-2-1-5-13(7)10/h1-6H,(H,11,14)
InChIKeyLVNZOWODZFAGQI-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.18
Rot. Bonds

About 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one

2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one (PubChem CID 56974445) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one.

Molecular Properties

Compound Name2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one
PubChem CID56974445
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one
SMILESO=c1cc[nH]c2c1ncc1cccn12
InChIInChI=1S/C10H7N3O/c14-8-3-4-11-10-9(8)12-6-7-2-1-5-13(7)10/h1-6H,(H,11,14)
InChIKeyLVNZOWODZFAGQI-UHFFFAOYSA-N
XLogP1.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one?
The IUPAC name of 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one (CID 56974445) is 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one.
What is the SMILES notation for 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one?
The canonical SMILES for 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one is O=c1cc[nH]c2c1ncc1cccn12.
What is the InChIKey of 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one?
The InChIKey is LVNZOWODZFAGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-8-3-4-11-10-9(8)12-6-7-2-1-5-13(7)10/h1-6H,(H,11,14).
What are the key properties of 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one?
2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one has a molecular weight of 185.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,11-pentaen-10-one is sourced from PubChem (CID 56974445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).