2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide

C14H16N4O2 — CID 91906312

IUPAC2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)Nc1ccccc1
InChIInChI=1S/C14H16N4O2/c19-13(15-11-6-2-1-3-7-11)10-18-14(20)17-9-5-4-8-12(17)16-18/h1-3,6-7H,4-5,8-10H2,(H,15,19)
InChIKeyWWDCJHXGAVWLRF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.02
Rot. Bonds3

About 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide

2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide (PubChem CID 91906312) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
PubChem CID91906312
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)Nc1ccccc1
InChIInChI=1S/C14H16N4O2/c19-13(15-11-6-2-1-3-7-11)10-18-14(20)17-9-5-4-8-12(17)16-18/h1-3,6-7H,4-5,8-10H2,(H,15,19)
InChIKeyWWDCJHXGAVWLRF-UHFFFAOYSA-N
XLogP1.02
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide (CID 91906312) is 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide is O=C(Cn1nc2n(c1=O)CCCC2)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
The InChIKey is WWDCJHXGAVWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(15-11-6-2-1-3-7-11)10-18-14(20)17-9-5-4-8-12(17)16-18/h1-3,6-7H,4-5,8-10H2,(H,15,19).
What are the key properties of 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide has a molecular weight of 272.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 91906312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).