2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one

C10H7N3O — CID 18732238

IUPAC2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one
SMILESO=C1NCc2ncnc3cccc1c23
InChIInChI=1S/C10H7N3O/c14-10-6-2-1-3-7-9(6)8(4-11-10)13-5-12-7/h1-3,5H,4H2,(H,11,14)
InChIKeyGAIZBRJYMVTQRF-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.87
Rot. Bonds

About 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one

2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one (PubChem CID 18732238) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one.

Molecular Properties

Compound Name2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one
PubChem CID18732238
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one
SMILESO=C1NCc2ncnc3cccc1c23
InChIInChI=1S/C10H7N3O/c14-10-6-2-1-3-7-9(6)8(4-11-10)13-5-12-7/h1-3,5H,4H2,(H,11,14)
InChIKeyGAIZBRJYMVTQRF-UHFFFAOYSA-N
XLogP0.87
TPSA54.88 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one?
The IUPAC name of 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one (CID 18732238) is 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one.
What is the SMILES notation for 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one?
The canonical SMILES for 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one is O=C1NCc2ncnc3cccc1c23.
What is the InChIKey of 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one?
The InChIKey is GAIZBRJYMVTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-10-6-2-1-3-7-9(6)8(4-11-10)13-5-12-7/h1-3,5H,4H2,(H,11,14).
What are the key properties of 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one?
2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one has a molecular weight of 185.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one is sourced from PubChem (CID 18732238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).