7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C7H7N3O2 — CID 105432579

IUPAC7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccn2c(=O)[nH]nc2c1
InChIInChI=1S/C7H7N3O2/c1-12-5-2-3-10-6(4-5)8-9-7(10)11/h2-4H,1H3,(H,9,11)
InChIKeyMOHWCJANWGXHRM-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.03
Rot. Bonds1

About 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 105432579) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID105432579
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccn2c(=O)[nH]nc2c1
InChIInChI=1S/C7H7N3O2/c1-12-5-2-3-10-6(4-5)8-9-7(10)11/h2-4H,1H3,(H,9,11)
InChIKeyMOHWCJANWGXHRM-UHFFFAOYSA-N
XLogP0.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 105432579) is 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1ccn2c(=O)[nH]nc2c1.
What is the InChIKey of 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MOHWCJANWGXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-12-5-2-3-10-6(4-5)8-9-7(10)11/h2-4H,1H3,(H,9,11).
What are the key properties of 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 165.15 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 105432579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).