5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H15N3O2 — CID 118218499

IUPAC5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCn1nc2cccc(Oc3ccccc3)n2c1=O
InChIInChI=1S/C15H15N3O2/c1-2-11-17-15(19)18-13(16-17)9-6-10-14(18)20-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyBOLSLEIMUVSOEH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.70
Rot. Bonds4

About 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 118218499) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID118218499
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCn1nc2cccc(Oc3ccccc3)n2c1=O
InChIInChI=1S/C15H15N3O2/c1-2-11-17-15(19)18-13(16-17)9-6-10-14(18)20-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyBOLSLEIMUVSOEH-UHFFFAOYSA-N
XLogP2.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 118218499) is 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCn1nc2cccc(Oc3ccccc3)n2c1=O.
What is the InChIKey of 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BOLSLEIMUVSOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-11-17-15(19)18-13(16-17)9-6-10-14(18)20-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 269.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-2-propyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 118218499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).