2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one

C11H19N5O — CID 82510917

IUPAC2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1)n1nncc1C
InChIInChI=1S/C11H19N5O/c1-3-10(16-9(2)8-13-14-16)11(17)15-6-4-12-5-7-15/h8,10,12H,3-7H2,1-2H3
InChIKeyFZZQQFYDAOPTPJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.03
Rot. Bonds3

About 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one

2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one (PubChem CID 82510917) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one
PubChem CID82510917
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1)n1nncc1C
InChIInChI=1S/C11H19N5O/c1-3-10(16-9(2)8-13-14-16)11(17)15-6-4-12-5-7-15/h8,10,12H,3-7H2,1-2H3
InChIKeyFZZQQFYDAOPTPJ-UHFFFAOYSA-N
XLogP-0.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-1-piperazin-1-ylbutan-1-one
CID 82509472
1-piperazin-1-yl-2-(1,2,4-triazol-1-yl)butan-1-one
CID 82509579
5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one
CID 82031720
1-[1-(1,4-diazepan-1-yl)-1-oxobutan-2-yl]pyridin-4-one
CID 82030508
2-(1-methylpyrazol-4-yl)-1-piperazin-1-ylbutan-1-one
CID 82510773
1-methyl-3-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
CID 82510029
6-amino-2-[4-[(1S,2S)-1-amino-2-methylbutyl]triazol-1-yl]-1-piperazin-1-ylhexan-1-one
CID 126547396
1-(1,4-diazepan-1-yl)-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119417552
2-methyl-1-piperazin-1-yl-3-(1,2,4-triazol-4-yl)propan-1-one
CID 82509589
1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
CID 82509276
2-(4-fluoro-3-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82091542
2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
CID 82511218

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one (CID 82510917) is 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one is CCC(C(=O)N1CCNCC1)n1nncc1C.
What is the InChIKey of 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is FZZQQFYDAOPTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-10(16-9(2)8-13-14-16)11(17)15-6-4-12-5-7-15/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one?
2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 237.31 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltriazol-1-yl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82510917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).