1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone

C10H9FN4O — CID 107047379

IUPAC1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2ccncc2F)nn1
InChIInChI=1S/C10H9FN4O/c1-15-6-7(13-14-15)4-10(16)8-2-3-12-5-9(8)11/h2-3,5-6H,4H2,1H3
InChIKeyHMWWFGKUWHFSJK-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.77
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone

1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107047379) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107047379
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2ccncc2F)nn1
InChIInChI=1S/C10H9FN4O/c1-15-6-7(13-14-15)4-10(16)8-2-3-12-5-9(8)11/h2-3,5-6H,4H2,1H3
InChIKeyHMWWFGKUWHFSJK-UHFFFAOYSA-N
XLogP0.77
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107047310
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048060
1-(2-amino-4-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047091
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
1-(2,5-dimethylfuran-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062798
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
CID 107307992
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062740
3-amino-1-(3-fluoro-4-pyridinyl)pentan-1-one
CID 116609051
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one
CID 104737858
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone (CID 107047379) is 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)c2ccncc2F)nn1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is HMWWFGKUWHFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-15-6-7(13-14-15)4-10(16)8-2-3-12-5-9(8)11/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone?
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 220.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107047379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).