cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone

C15H19N3O — CID 73388469

IUPACcyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone
SMILESO=C(C1CC1)N1CCN2CCNCc3cccc1c32
InChIInChI=1S/C15H19N3O/c19-15(11-4-5-11)18-9-8-17-7-6-16-10-12-2-1-3-13(18)14(12)17/h1-3,11,16H,4-10H2
InChIKeyOQEGYKSWUCKDOI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.35
Rot. Bonds1

About cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone

cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone (PubChem CID 73388469) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone
PubChem CID73388469
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Namecyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone
SMILESO=C(C1CC1)N1CCN2CCNCc3cccc1c32
InChIInChI=1S/C15H19N3O/c19-15(11-4-5-11)18-9-8-17-7-6-16-10-12-2-1-3-13(18)14(12)17/h1-3,11,16H,4-10H2
InChIKeyOQEGYKSWUCKDOI-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone?
The IUPAC name of cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone (CID 73388469) is cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone.
What is the SMILES notation for cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone?
The canonical SMILES for cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone is O=C(C1CC1)N1CCN2CCNCc3cccc1c32.
What is the InChIKey of cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone?
The InChIKey is OQEGYKSWUCKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(11-4-5-11)18-9-8-17-7-6-16-10-12-2-1-3-13(18)14(12)17/h1-3,11,16H,4-10H2.
What are the key properties of cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone?
cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-4-yl)methanone is sourced from PubChem (CID 73388469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).