N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide

C10H11N5O2 — CID 70217179

IUPACN-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnc(C)n2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c1-6-11-5-15(14-6)8-3-4-9(12-7(2)16)13-10(8)17/h3-5H,1-2H3,(H2,12,13,16,17)
InChIKeyTUGHAJSFQDGMKR-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.22
Rot. Bonds2

About N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide

N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide (PubChem CID 70217179) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide
PubChem CID70217179
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnc(C)n2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c1-6-11-5-15(14-6)8-3-4-9(12-7(2)16)13-10(8)17/h3-5H,1-2H3,(H2,12,13,16,17)
InChIKeyTUGHAJSFQDGMKR-UHFFFAOYSA-N
XLogP0.22
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide (CID 70217179) is N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide is CC(=O)Nc1ccc(-n2cnc(C)n2)c(=O)[nH]1.
What is the InChIKey of N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide?
The InChIKey is TUGHAJSFQDGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-11-5-15(14-6)8-3-4-9(12-7(2)16)13-10(8)17/h3-5H,1-2H3,(H2,12,13,16,17).
What are the key properties of N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide?
N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide is sourced from PubChem (CID 70217179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).