(8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone

C16H16N6O — CID 20620151

IUPAC(8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cn2nc(-c3ccccn3)nc12
InChIInChI=1S/C16H16N6O/c17-12-9-11(16(23)21-7-3-4-8-21)10-22-15(12)19-14(20-22)13-5-1-2-6-18-13/h1-2,5-6,9-10H,3-4,7-8,17H2
InChIKeyFJTXPRDDULEHMN-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.61
Rot. Bonds2

About (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone

(8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 20620151) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID20620151
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name(8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cn2nc(-c3ccccn3)nc12
InChIInChI=1S/C16H16N6O/c17-12-9-11(16(23)21-7-3-4-8-21)10-22-15(12)19-14(20-22)13-5-1-2-6-18-13/h1-2,5-6,9-10H,3-4,7-8,17H2
InChIKeyFJTXPRDDULEHMN-UHFFFAOYSA-N
XLogP1.61
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone (CID 20620151) is (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone is Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccccn3)nc12.
What is the InChIKey of (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FJTXPRDDULEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-12-9-11(16(23)21-7-3-4-8-21)10-22-15(12)19-14(20-22)13-5-1-2-6-18-13/h1-2,5-6,9-10H,3-4,7-8,17H2.
What are the key properties of (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?
(8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 308.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20620151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).