13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one

C15H27N3O — CID 170284313

IUPAC13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one
SMILESCC(C)(C)n1nc2n(c1=O)CCCCCCCCC2
InChIInChI=1S/C15H27N3O/c1-15(2,3)18-14(19)17-12-10-8-6-4-5-7-9-11-13(17)16-18/h4-12H2,1-3H3
InChIKeyTZKJAWLWTCFVAV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.09
Rot. Bonds

About 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one

13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one (PubChem CID 170284313) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one.

Molecular Properties

Compound Name13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one
PubChem CID170284313
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one
SMILESCC(C)(C)n1nc2n(c1=O)CCCCCCCCC2
InChIInChI=1S/C15H27N3O/c1-15(2,3)18-14(19)17-12-10-8-6-4-5-7-9-11-13(17)16-18/h4-12H2,1-3H3
InChIKeyTZKJAWLWTCFVAV-UHFFFAOYSA-N
XLogP3.09
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclohexyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 172450434
5-Heptyl-4-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 132137401
4-Butyl-2-tert-butyl-5-(fluoromethyl)-1,2,4-triazol-3-one
CID 164994312
5-Butyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22091022
2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 57927247
5-Butyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 89041769
2-Ethyl-5-heptyl-4-methyl-1,2,4-triazol-3-one
CID 132137394
2-Heptyl-4,5-dimethyl-1,2,4-triazol-3-one
CID 132137406
5-Heptyl-2,4-dimethyl-1,2,4-triazol-3-one
CID 132137510
2-Tert-butyl-5,6,7,8,9,10,11,12-octahydro-[1,2,4]triazolo[4,3-a]azecin-3-one
CID 156228070
2-Tert-butyl-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-one
CID 156228235
2-tert-butyl-6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[4,3-a]azonin-3-one
CID 156228353

Frequently Asked Questions

What is the IUPAC name of 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one?
The IUPAC name of 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one (CID 170284313) is 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one.
What is the SMILES notation for 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one?
The canonical SMILES for 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one is CC(C)(C)n1nc2n(c1=O)CCCCCCCCC2.
What is the InChIKey of 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one?
The InChIKey is TZKJAWLWTCFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)18-14(19)17-12-10-8-6-4-5-7-9-11-13(17)16-18/h4-12H2,1-3H3.
What are the key properties of 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one?
13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one has a molecular weight of 265.40 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-tert-butyl-1,12,13-triazabicyclo[9.3.0]tetradec-11-en-14-one is sourced from PubChem (CID 170284313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).