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

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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).