1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone

C18H17N3O2 — CID 46834114

IUPAC1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)cc2)n2nc(C3CC3)nc12
InChIInChI=1S/C18H17N3O2/c1-11(22)12-3-5-13(6-4-12)15-9-10-16(23-2)18-19-17(14-7-8-14)20-21(15)18/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyJBPJCYUXAZIWTQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone

1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone (PubChem CID 46834114) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
PubChem CID46834114
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
SMILESCOc1ccc(-c2ccc(C(C)=O)cc2)n2nc(C3CC3)nc12
InChIInChI=1S/C18H17N3O2/c1-11(22)12-3-5-13(6-4-12)15-9-10-16(23-2)18-19-17(14-7-8-14)20-21(15)18/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyJBPJCYUXAZIWTQ-UHFFFAOYSA-N
XLogP3.48
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone 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 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone (CID 46834114) is 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone is COc1ccc(-c2ccc(C(C)=O)cc2)n2nc(C3CC3)nc12.
What is the InChIKey of 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone?
The InChIKey is JBPJCYUXAZIWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11(22)12-3-5-13(6-4-12)15-9-10-16(23-2)18-19-17(14-7-8-14)20-21(15)18/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone?
1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone has a molecular weight of 307.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone is sourced from PubChem (CID 46834114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).