phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone

C13H15N5O — CID 69152119

IUPACphenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCNCC1n1ccnn1
InChIInChI=1S/C13H15N5O/c19-13(11-4-2-1-3-5-11)17-8-6-14-10-12(17)18-9-7-15-16-18/h1-5,7,9,12,14H,6,8,10H2
InChIKeyPNQBKTZXIAIBOP-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.52
Rot. Bonds2

About phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone

phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone (PubChem CID 69152119) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone
PubChem CID69152119
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Namephenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCNCC1n1ccnn1
InChIInChI=1S/C13H15N5O/c19-13(11-4-2-1-3-5-11)17-8-6-14-10-12(17)18-9-7-15-16-18/h1-5,7,9,12,14H,6,8,10H2
InChIKeyPNQBKTZXIAIBOP-UHFFFAOYSA-N
XLogP0.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-nitropiperazin-1-yl)-phenylmethanone
CID 141084094
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 62673813
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone (CID 69152119) is phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCNCC1n1ccnn1.
What is the InChIKey of phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone?
The InChIKey is PNQBKTZXIAIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(11-4-2-1-3-5-11)17-8-6-14-10-12(17)18-9-7-15-16-18/h1-5,7,9,12,14H,6,8,10H2.
What are the key properties of phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone?
phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone has a molecular weight of 257.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 69152119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).