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

C13H19N3 — CID 69357423

IUPAC(9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
SMILESCc1cc2c(nc1C)N1[C@@H](CNC[C@H]1C)C2
InChIInChI=1S/C13H19N3/c1-8-4-11-5-12-7-14-6-9(2)16(12)13(11)15-10(8)3/h4,9,12,14H,5-7H2,1-3H3/t9-,12-/m1/s1
InChIKeyZYFFJXXMZREQEU-BXKDBHETSA-N
MW217.32 g/mol
LogP1.42
Rot. Bonds

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

(9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene (PubChem CID 69357423) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name(9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
PubChem CID69357423
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
SMILESCc1cc2c(nc1C)N1[C@@H](CNC[C@H]1C)C2
InChIInChI=1S/C13H19N3/c1-8-4-11-5-12-7-14-6-9(2)16(12)13(11)15-10(8)3/h4,9,12,14H,5-7H2,1-3H3/t9-,12-/m1/s1
InChIKeyZYFFJXXMZREQEU-BXKDBHETSA-N
XLogP1.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The IUPAC name of (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene (CID 69357423) is (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene is Cc1cc2c(nc1C)N1[C@@H](CNC[C@H]1C)C2.
What is the InChIKey of (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The InChIKey is ZYFFJXXMZREQEU-BXKDBHETSA-N. The full InChI is InChI=1S/C13H19N3/c1-8-4-11-5-12-7-14-6-9(2)16(12)13(11)15-10(8)3/h4,9,12,14H,5-7H2,1-3H3/t9-,12-/m1/s1.
What are the key properties of (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
(9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene has a molecular weight of 217.32 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,13R)-4,5,13-trimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 69357423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).