4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine

C15H16N4O — CID 123761748

IUPAC4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
SMILESCn1c2ccncc2c2ccc(N3CCOCC3)nc21
InChIInChI=1S/C15H16N4O/c1-18-13-4-5-16-10-12(13)11-2-3-14(17-15(11)18)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyJTZDBBRGDJJYOA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.96
Rot. Bonds1

About 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine

4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine (PubChem CID 123761748) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine.

Molecular Properties

Compound Name4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
PubChem CID123761748
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
SMILESCn1c2ccncc2c2ccc(N3CCOCC3)nc21
InChIInChI=1S/C15H16N4O/c1-18-13-4-5-16-10-12(13)11-2-3-14(17-15(11)18)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyJTZDBBRGDJJYOA-UHFFFAOYSA-N
XLogP1.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
The IUPAC name of 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine (CID 123761748) is 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine.
What is the SMILES notation for 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
The canonical SMILES for 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine is Cn1c2ccncc2c2ccc(N3CCOCC3)nc21.
What is the InChIKey of 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
The InChIKey is JTZDBBRGDJJYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-18-13-4-5-16-10-12(13)11-2-3-14(17-15(11)18)19-6-8-20-9-7-19/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine?
4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine has a molecular weight of 268.32 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine is sourced from PubChem (CID 123761748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).