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

C14H20N4O — CID 68868496

IUPAC4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCCN1CC(C)=CC2=C1N1CN(OC)C=C1C=N2
InChIInChI=1S/C14H20N4O/c1-4-5-16-8-11(2)6-13-14(16)18-10-17(19-3)9-12(18)7-15-13/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyLYDISBKIGPKQMB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.89
Rot. Bonds3

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

4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (PubChem CID 68868496) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.

Molecular Properties

Compound Name4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
PubChem CID68868496
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCCN1CC(C)=CC2=C1N1CN(OC)C=C1C=N2
InChIInChI=1S/C14H20N4O/c1-4-5-16-8-11(2)6-13-14(16)18-10-17(19-3)9-12(18)7-15-13/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyLYDISBKIGPKQMB-UHFFFAOYSA-N
XLogP1.89
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The IUPAC name of 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (CID 68868496) is 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.
What is the SMILES notation for 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The canonical SMILES for 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is CCCN1CC(C)=CC2=C1N1CN(OC)C=C1C=N2.
What is the InChIKey of 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The InChIKey is LYDISBKIGPKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-16-8-11(2)6-13-14(16)18-10-17(19-3)9-12(18)7-15-13/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene has a molecular weight of 260.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-11-methyl-13-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is sourced from PubChem (CID 68868496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).