1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone

C17H17N5O — CID 118742717

IUPAC1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nnn2cc(-c3ccncc3)ccc12
InChIInChI=1S/C17H17N5O/c1-12(23)21-10-2-3-15(21)17-16-5-4-14(11-22(16)20-19-17)13-6-8-18-9-7-13/h4-9,11,15H,2-3,10H2,1H3
InChIKeyRYBAMTSSZDWIJR-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.47
Rot. Bonds2

About 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone

1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 118742717) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID118742717
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nnn2cc(-c3ccncc3)ccc12
InChIInChI=1S/C17H17N5O/c1-12(23)21-10-2-3-15(21)17-16-5-4-14(11-22(16)20-19-17)13-6-8-18-9-7-13/h4-9,11,15H,2-3,10H2,1H3
InChIKeyRYBAMTSSZDWIJR-UHFFFAOYSA-N
XLogP2.47
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone (CID 118742717) is 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nnn2cc(-c3ccncc3)ccc12.
What is the InChIKey of 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RYBAMTSSZDWIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12(23)21-10-2-3-15(21)17-16-5-4-14(11-22(16)20-19-17)13-6-8-18-9-7-13/h4-9,11,15H,2-3,10H2,1H3.
What are the key properties of 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 307.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118742717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).