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

C9H8N4O — CID 82372895

IUPAC1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
SMILESCC(=O)c1n[nH]nc1-c1ccccn1
InChIInChI=1S/C9H8N4O/c1-6(14)8-9(12-13-11-8)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13)
InChIKeyLFQMKSVWTZQQQL-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.07
Rot. Bonds2

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

1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone (PubChem CID 82372895) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
PubChem CID82372895
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
SMILESCC(=O)c1n[nH]nc1-c1ccccn1
InChIInChI=1S/C9H8N4O/c1-6(14)8-9(12-13-11-8)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13)
InChIKeyLFQMKSVWTZQQQL-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-(3-pyridin-2-ylpyrazin-2-yl)ethanone
CID 121428199
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 117167849
propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
CID 142200499
2-phenylpyridine;propan-2-one
CID 174845023
1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 82376283
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
2,5-dioxo-5-(5-pyridin-2-yl-2H-triazol-4-yl)-3-(thiophen-3-ylmethyl)pentanamide
CID 158589219
propane;2-pyridin-2-ylpyridine
CID 158168510
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
propan-2-one;1-pyridin-2-ylethanone
CID 158043833

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone?
The IUPAC name of 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone (CID 82372895) is 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone?
The canonical SMILES for 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone is CC(=O)c1n[nH]nc1-c1ccccn1.
What is the InChIKey of 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone?
The InChIKey is LFQMKSVWTZQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6(14)8-9(12-13-11-8)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone?
1-(5-pyridin-2-yl-2H-triazol-4-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-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone is sourced from PubChem (CID 82372895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).