1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone

C9H8N4O — CID 171794490

IUPAC1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(-c2cn[nH]n2)c1
InChIInChI=1S/C9H8N4O/c1-6(14)7-2-8(4-10-3-7)9-5-11-13-12-9/h2-5H,1H3,(H,11,12,13)
InChIKeyBCZOOGPHCOAZLM-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.07
Rot. Bonds2

About 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone

1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone (PubChem CID 171794490) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
PubChem CID171794490
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(-c2cn[nH]n2)c1
InChIInChI=1S/C9H8N4O/c1-6(14)7-2-8(4-10-3-7)9-5-11-13-12-9/h2-5H,1H3,(H,11,12,13)
InChIKeyBCZOOGPHCOAZLM-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-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
CID 121458605
2-ethyl-4-(2H-triazol-4-yl)benzamide
CID 67309472
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
4-(3,4-dimethylphenyl)-2H-triazole
CID 134818557
4-(2H-triazol-4-yl)benzoic acid
CID 58971816
N-(2-aminoethyl)-3,5-bis(2H-triazol-4-yl)benzamide
CID 163216327
1-[5-(2,3-dichlorophenyl)-3-pyridinyl]ethanone
CID 82540749
[3-(2H-triazol-4-yl)phenyl]carbamic acid
CID 69051190
diphenyl 5-(2H-triazol-4-yl)benzene-1,3-dicarboxylate
CID 175158628
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
1-[5-[10-(4-pyrimidin-2-ylphenyl)anthracen-9-yl]-3-pyridinyl]ethanone
CID 163475449

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone (CID 171794490) is 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone is CC(=O)c1cncc(-c2cn[nH]n2)c1.
What is the InChIKey of 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone?
The InChIKey is BCZOOGPHCOAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6(14)7-2-8(4-10-3-7)9-5-11-13-12-9/h2-5H,1H3,(H,11,12,13).
What are the key properties of 1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone?
1-[5-(2H-triazol-4-yl)-3-pyridinyl]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-(2H-triazol-4-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 171794490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).