triazolo[4,5-b]pyridin-3-yl acetate

C7H6N4O2 — CID 18737155

IUPACtriazolo[4,5-b]pyridin-3-yl acetate
SMILESCC(=O)On1nnc2cccnc21
InChIInChI=1S/C7H6N4O2/c1-5(12)13-11-7-6(9-10-11)3-2-4-8-7/h2-4H,1H3
InChIKeyDGHKOLVLZJLHAG-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.20
Rot. Bonds1

About triazolo[4,5-b]pyridin-3-yl acetate

triazolo[4,5-b]pyridin-3-yl acetate (PubChem CID 18737155) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is triazolo[4,5-b]pyridin-3-yl acetate.

Molecular Properties

Compound Nametriazolo[4,5-b]pyridin-3-yl acetate
PubChem CID18737155
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Nametriazolo[4,5-b]pyridin-3-yl acetate
SMILESCC(=O)On1nnc2cccnc21
InChIInChI=1S/C7H6N4O2/c1-5(12)13-11-7-6(9-10-11)3-2-4-8-7/h2-4H,1H3
InChIKeyDGHKOLVLZJLHAG-UHFFFAOYSA-N
XLogP-0.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-b]pyridin-3-yl acetate?
The IUPAC name of triazolo[4,5-b]pyridin-3-yl acetate (CID 18737155) is triazolo[4,5-b]pyridin-3-yl acetate.
What is the SMILES notation for triazolo[4,5-b]pyridin-3-yl acetate?
The canonical SMILES for triazolo[4,5-b]pyridin-3-yl acetate is CC(=O)On1nnc2cccnc21.
What is the InChIKey of triazolo[4,5-b]pyridin-3-yl acetate?
The InChIKey is DGHKOLVLZJLHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-5(12)13-11-7-6(9-10-11)3-2-4-8-7/h2-4H,1H3.
What are the key properties of triazolo[4,5-b]pyridin-3-yl acetate?
triazolo[4,5-b]pyridin-3-yl acetate has a molecular weight of 178.15 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-b]pyridin-3-yl acetate is sourced from PubChem (CID 18737155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).