11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

C15H14N4O — CID 934699

IUPAC11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESO=c1c2c(nc3nc(Cc4ccccc4)[nH]n13)CCC2
InChIInChI=1S/C15H14N4O/c20-14-11-7-4-8-12(11)16-15-17-13(18-19(14)15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17,18)
InChIKeyZEYLRHKDNPWNAX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.50
Rot. Bonds2

About 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (PubChem CID 934699) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.

Molecular Properties

Compound Name11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
PubChem CID934699
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESO=c1c2c(nc3nc(Cc4ccccc4)[nH]n13)CCC2
InChIInChI=1S/C15H14N4O/c20-14-11-7-4-8-12(11)16-15-17-13(18-19(14)15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17,18)
InChIKeyZEYLRHKDNPWNAX-UHFFFAOYSA-N
XLogP1.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The IUPAC name of 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (CID 934699) is 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
What is the SMILES notation for 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The canonical SMILES for 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is O=c1c2c(nc3nc(Cc4ccccc4)[nH]n13)CCC2.
What is the InChIKey of 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The InChIKey is ZEYLRHKDNPWNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-14-11-7-4-8-12(11)16-15-17-13(18-19(14)15)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,17,18).
What are the key properties of 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is sourced from PubChem (CID 934699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).