2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone

C12H15N5O — CID 83968777

IUPAC2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCNCC1
InChIInChI=1S/C12H15N5O/c18-12(16-7-5-13-6-8-16)9-17-14-10-3-1-2-4-11(10)15-17/h1-4,13H,5-9H2
InChIKeyUJBLPAGPKPFYCU-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.14
Rot. Bonds2

About 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone

2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone (PubChem CID 83968777) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
PubChem CID83968777
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCNCC1
InChIInChI=1S/C12H15N5O/c18-12(16-7-5-13-6-8-16)9-17-14-10-3-1-2-4-11(10)15-17/h1-4,13H,5-9H2
InChIKeyUJBLPAGPKPFYCU-UHFFFAOYSA-N
XLogP-0.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
8-[2-(benzotriazol-2-yl)acetyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118785152
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-(benzotriazol-2-yl)ethanone
CID 122562594
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 167352501
2-[1-(2-oxo-2-piperazin-1-ylethyl)benzimidazol-2-yl]acetonitrile
CID 63640507
1-piperazin-1-yl-2-pyrrol-1-ylethanone
CID 61350188
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119400771
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
2-(benzotriazol-2-yl)-1-(6-hydroxy-4-methyl-1,4-diazepan-1-yl)ethanone
CID 74250068
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone (CID 83968777) is 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone is O=C(Cn1nc2ccccc2n1)N1CCNCC1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is UJBLPAGPKPFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12(16-7-5-13-6-8-16)9-17-14-10-3-1-2-4-11(10)15-17/h1-4,13H,5-9H2.
What are the key properties of 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone?
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 245.29 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 83968777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).