(1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene

C10H15N3 — CID 99109955

IUPAC(1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene
SMILESCCn1cc2c(n1)C[C@H]1CC[C@H]2N1
InChIInChI=1S/C10H15N3/c1-2-13-6-8-9-4-3-7(11-9)5-10(8)12-13/h6-7,9,11H,2-5H2,1H3/t7-,9-/m1/s1
InChIKeyIMQRNGYRFXFRSF-VXNVDRBHSA-N
MW177.25 g/mol
LogP1.25
Rot. Bonds1

About (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene

(1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene (PubChem CID 99109955) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene.

Molecular Properties

Compound Name(1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene
PubChem CID99109955
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene
SMILESCCn1cc2c(n1)C[C@H]1CC[C@H]2N1
InChIInChI=1S/C10H15N3/c1-2-13-6-8-9-4-3-7(11-9)5-10(8)12-13/h6-7,9,11H,2-5H2,1H3/t7-,9-/m1/s1
InChIKeyIMQRNGYRFXFRSF-VXNVDRBHSA-N
XLogP1.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene 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 (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene?
The IUPAC name of (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene (CID 99109955) is (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene.
What is the SMILES notation for (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene?
The canonical SMILES for (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene is CCn1cc2c(n1)C[C@H]1CC[C@H]2N1.
What is the InChIKey of (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene?
The InChIKey is IMQRNGYRFXFRSF-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-13-6-8-9-4-3-7(11-9)5-10(8)12-13/h6-7,9,11H,2-5H2,1H3/t7-,9-/m1/s1.
What are the key properties of (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene?
(1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene has a molecular weight of 177.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-4-ethyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2,5-diene is sourced from PubChem (CID 99109955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).