(9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene

C14H21N3 — CID 69357200

IUPAC(9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
SMILESCCc1nc2c(cc1C)C[C@@H]1CNC[C@@H](C)N21
InChIInChI=1S/C14H21N3/c1-4-13-9(2)5-11-6-12-8-15-7-10(3)17(12)14(11)16-13/h5,10,12,15H,4,6-8H2,1-3H3/t10-,12-/m1/s1
InChIKeyQLCGSVLJODXBGZ-ZYHUDNBSSA-N
MW231.34 g/mol
LogP1.68
Rot. Bonds1

About (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene

(9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene (PubChem CID 69357200) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name(9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
PubChem CID69357200
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
SMILESCCc1nc2c(cc1C)C[C@@H]1CNC[C@@H](C)N21
InChIInChI=1S/C14H21N3/c1-4-13-9(2)5-11-6-12-8-15-7-10(3)17(12)14(11)16-13/h5,10,12,15H,4,6-8H2,1-3H3/t10-,12-/m1/s1
InChIKeyQLCGSVLJODXBGZ-ZYHUDNBSSA-N
XLogP1.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The IUPAC name of (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene (CID 69357200) is (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene is CCc1nc2c(cc1C)C[C@@H]1CNC[C@@H](C)N21.
What is the InChIKey of (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The InChIKey is QLCGSVLJODXBGZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-13-9(2)5-11-6-12-8-15-7-10(3)17(12)14(11)16-13/h5,10,12,15H,4,6-8H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
(9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene has a molecular weight of 231.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,13R)-4-ethyl-5,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 69357200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).