13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene

C13H18N4O — CID 68869393

IUPAC13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCN1CC(C)=CC2=C1N1CN(OC)C=C1C=N2
InChIInChI=1S/C13H18N4O/c1-4-15-7-10(2)5-12-13(15)17-9-16(18-3)8-11(17)6-14-12/h5-6,8H,4,7,9H2,1-3H3
InChIKeyWSYQXFIKLITSBF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds2

About 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene

13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (PubChem CID 68869393) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.

Molecular Properties

Compound Name13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
PubChem CID68869393
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCN1CC(C)=CC2=C1N1CN(OC)C=C1C=N2
InChIInChI=1S/C13H18N4O/c1-4-15-7-10(2)5-12-13(15)17-9-16(18-3)8-11(17)6-14-12/h5-6,8H,4,7,9H2,1-3H3
InChIKeyWSYQXFIKLITSBF-UHFFFAOYSA-N
XLogP1.50
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The IUPAC name of 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (CID 68869393) is 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.
What is the SMILES notation for 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The canonical SMILES for 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is CCN1CC(C)=CC2=C1N1CN(OC)C=C1C=N2.
What is the InChIKey of 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The InChIKey is WSYQXFIKLITSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-15-7-10(2)5-12-13(15)17-9-16(18-3)8-11(17)6-14-12/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene has a molecular weight of 246.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-4-methoxy-11-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is sourced from PubChem (CID 68869393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).