1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one

C10H10N4O — CID 122662739

IUPAC1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cnccc1-n1nccn1
InChIInChI=1S/C10H10N4O/c1-2-10(15)8-7-11-4-3-9(8)14-12-5-6-13-14/h3-7H,2H2,1H3
InChIKeyJGGYQRYBTQOLAD-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.25
Rot. Bonds3

About 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one

1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one (PubChem CID 122662739) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one
PubChem CID122662739
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cnccc1-n1nccn1
InChIInChI=1S/C10H10N4O/c1-2-10(15)8-7-11-4-3-9(8)14-12-5-6-13-14/h3-7H,2H2,1H3
InChIKeyJGGYQRYBTQOLAD-UHFFFAOYSA-N
XLogP1.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(triazol-2-yl)phenyl]propan-1-one
CID 70794389
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133470597
1-(3-anilino-4-pyridinyl)propan-1-one
CID 90831497
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one
CID 174512186
1-(2-imidazol-1-ylphenyl)propan-1-one
CID 18474619
3-amino-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-one
CID 102709471
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
2-(3-ethyl-2-methoxyphenyl)triazole
CID 134512729
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
methyl 4-fluoropyridine-3-carboxylate
CID 46311150

Frequently Asked Questions

What is the IUPAC name of 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one (CID 122662739) is 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one is CCC(=O)c1cnccc1-n1nccn1.
What is the InChIKey of 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one?
The InChIKey is JGGYQRYBTQOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-2-10(15)8-7-11-4-3-9(8)14-12-5-6-13-14/h3-7H,2H2,1H3.
What are the key properties of 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one?
1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one has a molecular weight of 202.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(triazol-2-yl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 122662739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).