2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C17H19N5O — CID 110455566

IUPAC2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(C)Nc1cccc2nc(NC(=O)Cc3ccccc3)nn12
InChIInChI=1S/C17H19N5O/c1-12(2)18-14-9-6-10-15-19-17(21-22(14)15)20-16(23)11-13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3,(H,20,21,23)
InChIKeyXHVIGUJJZLZTGJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.73
Rot. Bonds5

About 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 110455566) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID110455566
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(C)Nc1cccc2nc(NC(=O)Cc3ccccc3)nn12
InChIInChI=1S/C17H19N5O/c1-12(2)18-14-9-6-10-15-19-17(21-22(14)15)20-16(23)11-13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3,(H,20,21,23)
InChIKeyXHVIGUJJZLZTGJ-UHFFFAOYSA-N
XLogP2.73
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 110455566) is 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CC(C)Nc1cccc2nc(NC(=O)Cc3ccccc3)nn12.
What is the InChIKey of 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is XHVIGUJJZLZTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)18-14-9-6-10-15-19-17(21-22(14)15)20-16(23)11-13-7-4-3-5-8-13/h3-10,12,18H,11H2,1-2H3,(H,20,21,23).
What are the key properties of 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 110455566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).