13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one

C15H16N6O — CID 22757472

IUPAC13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
SMILESCCn1ncc2c1nc(C)c1c(=O)n(C)c3cc(C)nn3c12
InChIInChI=1S/C15H16N6O/c1-5-20-14-10(7-16-20)13-12(9(3)17-14)15(22)19(4)11-6-8(2)18-21(11)13/h6-7H,5H2,1-4H3
InChIKeyWVCCPMUHMPBHSP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.57
Rot. Bonds1

About 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one

13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one (PubChem CID 22757472) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one.

Molecular Properties

Compound Name13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
PubChem CID22757472
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
SMILESCCn1ncc2c1nc(C)c1c(=O)n(C)c3cc(C)nn3c12
InChIInChI=1S/C15H16N6O/c1-5-20-14-10(7-16-20)13-12(9(3)17-14)15(22)19(4)11-6-8(2)18-21(11)13/h6-7H,5H2,1-4H3
InChIKeyWVCCPMUHMPBHSP-UHFFFAOYSA-N
XLogP1.57
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
The IUPAC name of 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one (CID 22757472) is 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one.
What is the SMILES notation for 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
The canonical SMILES for 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one is CCn1ncc2c1nc(C)c1c(=O)n(C)c3cc(C)nn3c12.
What is the InChIKey of 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
The InChIKey is WVCCPMUHMPBHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-5-20-14-10(7-16-20)13-12(9(3)17-14)15(22)19(4)11-6-8(2)18-21(11)13/h6-7H,5H2,1-4H3.
What are the key properties of 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one?
13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one has a molecular weight of 296.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-4,7,10-trimethyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one is sourced from PubChem (CID 22757472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).