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

C15H18N4O2 — CID 110876303

IUPACN-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1nc2n(c1=O)CCCC2)c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-17(12-7-3-2-4-8-12)14(20)11-19-15(21)18-10-6-5-9-13(18)16-19/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyCGMGOIURGMJXAS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.04
Rot. Bonds3

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

N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide (PubChem CID 110876303) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
PubChem CID110876303
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
SMILESCN(C(=O)Cn1nc2n(c1=O)CCCC2)c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-17(12-7-3-2-4-8-12)14(20)11-19-15(21)18-10-6-5-9-13(18)16-19/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyCGMGOIURGMJXAS-UHFFFAOYSA-N
XLogP1.04
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide (CID 110876303) is N-methyl-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 N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide is CN(C(=O)Cn1nc2n(c1=O)CCCC2)c1ccccc1.
What is the InChIKey of N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
The InChIKey is CGMGOIURGMJXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17(12-7-3-2-4-8-12)14(20)11-19-15(21)18-10-6-5-9-13(18)16-19/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of N-methyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide?
N-methyl-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 286.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 110876303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).