2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol

C13H11N3O2 — CID 54584903

IUPAC2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol
SMILES[3H]N(c1ccc(-c2nc3ccc(O)cc3o2)cn1)C([3H])([3H])[3H]
InChIInChI=1S/C13H11N3O2/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1T3/hT
InChIKeyMUNSCAJTQCLVNR-CXFMBIAKSA-N
MW249.28 g/mol
LogP2.64
Rot. Bonds3

About 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol

2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol (PubChem CID 54584903) has the molecular formula C13H11N3O2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol
PubChem CID54584903
Molecular FormulaC13H11N3O2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol
SMILES[3H]N(c1ccc(-c2nc3ccc(O)cc3o2)cn1)C([3H])([3H])[3H]
InChIInChI=1S/C13H11N3O2/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1T3/hT
InChIKeyMUNSCAJTQCLVNR-CXFMBIAKSA-N
XLogP2.64
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol 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 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol (CID 54584903) is 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol is [3H]N(c1ccc(-c2nc3ccc(O)cc3o2)cn1)C([3H])([3H])[3H].
What is the InChIKey of 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol?
The InChIKey is MUNSCAJTQCLVNR-CXFMBIAKSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)/i1T3/hT.
What are the key properties of 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol?
2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol has a molecular weight of 249.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol is sourced from PubChem (CID 54584903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).