4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine

C13H13N5O — CID 59447962

IUPAC4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine
SMILESc1cc2c(cn1)[nH]c1ncnc(N3CCOCC3)c12
InChIInChI=1S/C13H13N5O/c1-2-14-7-10-9(1)11-12(17-10)15-8-16-13(11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,15,16,17)
InChIKeyKCCWKXQXGIBIQF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.34
Rot. Bonds1

About 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine

4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine (PubChem CID 59447962) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine.

Molecular Properties

Compound Name4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine
PubChem CID59447962
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine
SMILESc1cc2c(cn1)[nH]c1ncnc(N3CCOCC3)c12
InChIInChI=1S/C13H13N5O/c1-2-14-7-10-9(1)11-12(17-10)15-8-16-13(11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,15,16,17)
InChIKeyKCCWKXQXGIBIQF-UHFFFAOYSA-N
XLogP1.34
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-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-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine?
The IUPAC name of 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine (CID 59447962) is 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine.
What is the SMILES notation for 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine?
The canonical SMILES for 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine is c1cc2c(cn1)[nH]c1ncnc(N3CCOCC3)c12.
What is the InChIKey of 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine?
The InChIKey is KCCWKXQXGIBIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-14-7-10-9(1)11-12(17-10)15-8-16-13(11)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H,15,16,17).
What are the key properties of 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine?
4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine has a molecular weight of 255.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)morpholine is sourced from PubChem (CID 59447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).