[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone

C18H25N5O2 — CID 167907415

IUPAC[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(CCN2CCOCC2)nn1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1
InChIInChI=1S/C18H25N5O2/c24-18(22-10-15-13-1-2-14(9-13)16(15)11-22)17-12-23(20-19-17)4-3-21-5-7-25-8-6-21/h1-2,12-16H,3-11H2/t13?,14?,15-,16+
InChIKeyFJERMACOZWFTRJ-STONLHKKSA-N
MW343.43 g/mol
LogP0.50
Rot. Bonds4

About [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone

[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone (PubChem CID 167907415) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
PubChem CID167907415
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(CCN2CCOCC2)nn1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1
InChIInChI=1S/C18H25N5O2/c24-18(22-10-15-13-1-2-14(9-13)16(15)11-22)17-12-23(20-19-17)4-3-21-5-7-25-8-6-21/h1-2,12-16H,3-11H2/t13?,14?,15-,16+
InChIKeyFJERMACOZWFTRJ-STONLHKKSA-N
XLogP0.50
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone 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 [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone?
The IUPAC name of [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone (CID 167907415) is [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone?
The canonical SMILES for [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone is O=C(c1cn(CCN2CCOCC2)nn1)N1C[C@@H]2C3C=CC(C3)[C@@H]2C1.
What is the InChIKey of [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone?
The InChIKey is FJERMACOZWFTRJ-STONLHKKSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(22-10-15-13-1-2-14(9-13)16(15)11-22)17-12-23(20-19-17)4-3-21-5-7-25-8-6-21/h1-2,12-16H,3-11H2/t13?,14?,15-,16+.
What are the key properties of [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone?
[(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 167907415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).