1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one

C10H13N3O — CID 135492984

IUPAC1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESO=c1c2c(nc3n1CCCN3)CCC2
InChIInChI=1S/C10H13N3O/c14-9-7-3-1-4-8(7)12-10-11-5-2-6-13(9)10/h1-6H2,(H,11,12)
InChIKeyOFVXOQZAPIYQGW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.55
Rot. Bonds

About 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one

1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (PubChem CID 135492984) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.

Molecular Properties

Compound Name1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
PubChem CID135492984
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESO=c1c2c(nc3n1CCCN3)CCC2
InChIInChI=1S/C10H13N3O/c14-9-7-3-1-4-8(7)12-10-11-5-2-6-13(9)10/h1-6H2,(H,11,12)
InChIKeyOFVXOQZAPIYQGW-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The IUPAC name of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (CID 135492984) is 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.
What is the SMILES notation for 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The canonical SMILES for 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is O=c1c2c(nc3n1CCCN3)CCC2.
What is the InChIKey of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The InChIKey is OFVXOQZAPIYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-9-7-3-1-4-8(7)12-10-11-5-2-6-13(9)10/h1-6H2,(H,11,12).
What are the key properties of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is sourced from PubChem (CID 135492984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).