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

C14H20N4O — CID 68872449

IUPAC13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCN1CC(C)=C(C)C2=C1N1CN(OC)C=C1C=N2
InChIInChI=1S/C14H20N4O/c1-5-16-7-10(2)11(3)13-14(16)18-9-17(19-4)8-12(18)6-15-13/h6,8H,5,7,9H2,1-4H3
InChIKeyYFDSNFGDPOLGPO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.89
Rot. Bonds2

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

13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (PubChem CID 68872449) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene.

Molecular Properties

Compound Name13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
PubChem CID68872449
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene
SMILESCCN1CC(C)=C(C)C2=C1N1CN(OC)C=C1C=N2
InChIInChI=1S/C14H20N4O/c1-5-16-7-10(2)11(3)13-14(16)18-9-17(19-4)8-12(18)6-15-13/h6,8H,5,7,9H2,1-4H3
InChIKeyYFDSNFGDPOLGPO-UHFFFAOYSA-N
XLogP1.89
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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 13-ethyl-4-methoxy-10,11-dimethyl-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-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene (CID 68872449) is 13-ethyl-4-methoxy-10,11-dimethyl-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-10,11-dimethyl-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-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is CCN1CC(C)=C(C)C2=C1N1CN(OC)C=C1C=N2.
What is the InChIKey of 13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
The InChIKey is YFDSNFGDPOLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-16-7-10(2)11(3)13-14(16)18-9-17(19-4)8-12(18)6-15-13/h6,8H,5,7,9H2,1-4H3.
What are the key properties of 13-ethyl-4-methoxy-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene?
13-ethyl-4-methoxy-10,11-dimethyl-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, 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-10,11-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10-tetraene is sourced from PubChem (CID 68872449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).