2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

C14H16N4O — CID 47008777

IUPAC2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1C=CCC1)NCc1nnc2ccccn12
InChIInChI=1S/C14H16N4O/c19-14(9-11-5-1-2-6-11)15-10-13-17-16-12-7-3-4-8-18(12)13/h1,3-5,7-8,11H,2,6,9-10H2,(H,15,19)
InChIKeySXLNEEYRIWVKIO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.70
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (PubChem CID 47008777) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
PubChem CID47008777
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1C=CCC1)NCc1nnc2ccccn12
InChIInChI=1S/C14H16N4O/c19-14(9-11-5-1-2-6-11)15-10-13-17-16-12-7-3-4-8-18(12)13/h1,3-5,7-8,11H,2,6,9-10H2,(H,15,19)
InChIKeySXLNEEYRIWVKIO-UHFFFAOYSA-N
XLogP1.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39761250
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 11935708
2-(4-aminopiperidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 79323405
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9440861
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide (CID 47008777) is 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is O=C(CC1C=CCC1)NCc1nnc2ccccn12.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is SXLNEEYRIWVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(9-11-5-1-2-6-11)15-10-13-17-16-12-7-3-4-8-18(12)13/h1,3-5,7-8,11H,2,6,9-10H2,(H,15,19).
What are the key properties of 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide?
2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 47008777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).