N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide

C13H17N5O2 — CID 122559825

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCC(NC(=O)Cn1ccccc1=O)c1ncnn1C
InChIInChI=1S/C13H17N5O2/c1-3-10(13-14-9-15-17(13)2)16-11(19)8-18-7-5-4-6-12(18)20/h4-7,9-10H,3,8H2,1-2H3,(H,16,19)
InChIKeyAQAOOUSGYLOBJL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.24
Rot. Bonds5

About N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 122559825) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID122559825
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCCC(NC(=O)Cn1ccccc1=O)c1ncnn1C
InChIInChI=1S/C13H17N5O2/c1-3-10(13-14-9-15-17(13)2)16-11(19)8-18-7-5-4-6-12(18)20/h4-7,9-10H,3,8H2,1-2H3,(H,16,19)
InChIKeyAQAOOUSGYLOBJL-UHFFFAOYSA-N
XLogP0.24
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
CID 91830303
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 91784989
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide
CID 125439899
2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122564046
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 91842305
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 124750445
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 97122335
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70728800
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 120507247
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 122559825) is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide is CCC(NC(=O)Cn1ccccc1=O)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is AQAOOUSGYLOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-10(13-14-9-15-17(13)2)16-11(19)8-18-7-5-4-6-12(18)20/h4-7,9-10H,3,8H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 122559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).