2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one

C13H17FN6O — CID 128966883

IUPAC2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(F)C(=O)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C13H17FN6O/c1-13(2,14)12(21)19-5-3-18(4-6-19)11-8-15-7-10-16-9-17-20(10)11/h7-9H,3-6H2,1-2H3
InChIKeyXIIDWFMVFAZUJL-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.52
Rot. Bonds2

About 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one

2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one (PubChem CID 128966883) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
PubChem CID128966883
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(F)C(=O)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C13H17FN6O/c1-13(2,14)12(21)19-5-3-18(4-6-19)11-8-15-7-10-16-9-17-20(10)11/h7-9H,3-6H2,1-2H3
InChIKeyXIIDWFMVFAZUJL-UHFFFAOYSA-N
XLogP0.52
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066912
4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one
CID 128997669
N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129340995
N-cyclohex-2-en-1-yl-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
CID 129003660
2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 136531649
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596320
(3-methyl-2-pyridinyl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007924
2,2,3,3,4,4,4-heptafluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 3520236
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
CID 129007915

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one (CID 128966883) is 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one is CC(C)(F)C(=O)N1CCN(c2cncc3ncnn23)CC1.
What is the InChIKey of 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XIIDWFMVFAZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-13(2,14)12(21)19-5-3-18(4-6-19)11-8-15-7-10-16-9-17-20(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one?
2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one has a molecular weight of 292.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 128966883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).