1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone

C9H8N4O — CID 82376283

IUPAC1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H8N4O/c1-6(14)8-11-9(13-12-8)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13)
InChIKeyVFHSGROEIVELTR-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.07
Rot. Bonds2

About 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone

1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 82376283) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
PubChem CID82376283
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H8N4O/c1-6(14)8-11-9(13-12-8)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13)
InChIKeyVFHSGROEIVELTR-UHFFFAOYSA-N
XLogP1.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[(3-pyridin-2-yl-1H-1,2,4-triazole-5-carbonyl)amino]urea
CID 2739071
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
2-phenylpyridine;propan-2-one
CID 174845023
CID 139150015
CID 139150015
1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
CID 82372895
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
1-(3-pyridin-2-ylpyrazin-2-yl)ethanone
CID 121428199
1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
CID 164780913
[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid
CID 66706223
N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168735
2-[5-(azetidin-3-yl)-1H-1,2,4-triazol-3-yl]pyridine
CID 68752284

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone (CID 82376283) is 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone is CC(=O)c1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is VFHSGROEIVELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6(14)8-11-9(13-12-8)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone?
1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 188.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 82376283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).