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

C16H24N6O2 — CID 128997669

IUPAC4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one
SMILESCC(C)OCCCC(=O)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H24N6O2/c1-13(2)24-9-3-4-16(23)21-7-5-20(6-8-21)15-11-17-10-14-18-12-19-22(14)15/h10-13H,3-9H2,1-2H3
InChIKeyTUHCGXVWUKUJCV-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.98
Rot. Bonds6

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

4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one (PubChem CID 128997669) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one
PubChem CID128997669
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one
SMILESCC(C)OCCCC(=O)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H24N6O2/c1-13(2)24-9-3-4-16(23)21-7-5-20(6-8-21)15-11-17-10-14-18-12-19-22(14)15/h10-13H,3-9H2,1-2H3
InChIKeyTUHCGXVWUKUJCV-UHFFFAOYSA-N
XLogP0.98
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 128966883
2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593
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
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
ethyl 3-[5-methyl-7-[4-(4-phenoxybutanoyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 46098257
3-(furan-2-yl)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 129002349
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 115593324
3-methyl-1-[4-(4-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 110800810
3-(1-methylpyrazol-4-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 118762066
4-(4-tert-butylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)butan-1-one
CID 166191715

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one (CID 128997669) is 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one is CC(C)OCCCC(=O)N1CCN(c2cncc3ncnn23)CC1.
What is the InChIKey of 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one?
The InChIKey is TUHCGXVWUKUJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-13(2)24-9-3-4-16(23)21-7-5-20(6-8-21)15-11-17-10-14-18-12-19-22(14)15/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one?
4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one has a molecular weight of 332.41 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 128997669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).